https://launchpad.net/ubuntu/+source/lammps/20240207+dfsg-1.1build2/+build/27929703 RUN: /usr/share/launchpad-buildd/bin/builder-prep Kernel version: Linux bos03-amd64-042 5.4.0-173-generic #191-Ubuntu SMP Fri Feb 2 13:55:07 UTC 2024 x86_64 Buildd toolchain package versions: launchpad-buildd_236~650~ubuntu20.04.1 python3-lpbuildd_236~650~ubuntu20.04.1 sbuild_0.79.0-1ubuntu1 git-build-recipe_0.3.6 git_1:2.25.1-1ubuntu3.11 dpkg-dev_1.19.7ubuntu3.2 python3-debian_0.1.36ubuntu1.1. Syncing the system clock with the buildd NTP service... 16 Mar 06:32:35 ntpdate[15800]: adjust time server 10.211.37.1 offset 0.000675 sec RUN: /usr/share/launchpad-buildd/bin/in-target unpack-chroot --backend=chroot --series=noble --arch=amd64 PACKAGEBUILD-27929703 --image-type chroot /home/buildd/filecache-default/1fe94ca8758119221c8de2550665a1bb335bd6a9 Creating target for build PACKAGEBUILD-27929703 RUN: /usr/share/launchpad-buildd/bin/in-target mount-chroot --backend=chroot --series=noble --arch=amd64 PACKAGEBUILD-27929703 Starting target for build PACKAGEBUILD-27929703 RUN: /usr/share/launchpad-buildd/bin/in-target override-sources-list --backend=chroot --series=noble --arch=amd64 PACKAGEBUILD-27929703 'deb http://ftpmaster.internal/ubuntu noble main universe' 'deb http://ftpmaster.internal/ubuntu noble-security main universe' 'deb http://ftpmaster.internal/ubuntu noble-updates main universe' 'deb http://ftpmaster.internal/ubuntu noble-proposed main universe' Overriding sources.list in build-PACKAGEBUILD-27929703 RUN: /usr/share/launchpad-buildd/bin/in-target update-debian-chroot --backend=chroot --series=noble --arch=amd64 PACKAGEBUILD-27929703 Updating target for build PACKAGEBUILD-27929703 Get:1 http://ftpmaster.internal/ubuntu noble InRelease [255 kB] Get:2 http://ftpmaster.internal/ubuntu noble-security InRelease [90.7 kB] Get:3 http://ftpmaster.internal/ubuntu noble-updates InRelease [90.7 kB] Get:4 http://ftpmaster.internal/ubuntu noble-proposed InRelease [117 kB] Get:5 http://ftpmaster.internal/ubuntu noble/main amd64 Packages [1435 kB] Get:6 http://ftpmaster.internal/ubuntu noble/main Translation-en [518 kB] Get:7 http://ftpmaster.internal/ubuntu noble/universe amd64 Packages [15.7 MB] Get:8 http://ftpmaster.internal/ubuntu noble/universe Translation-en [6040 kB] Get:9 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 Packages [664 kB] Get:10 http://ftpmaster.internal/ubuntu noble-proposed/main Translation-en [225 kB] Get:11 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 Packages [4028 kB] Get:12 http://ftpmaster.internal/ubuntu noble-proposed/universe Translation-en [1461 kB] Fetched 30.6 MB in 5s (6176 kB/s) Reading package lists... Reading package lists... Building dependency tree... Reading state information... Calculating upgrade... The following packages were automatically installed and are no longer required: libnsl-dev libperl5.36 libtirpc-dev libunistring2 perl-modules-5.36 Use 'sudo apt autoremove' to remove them. The following packages will be REMOVED: libapt-pkg6.0* libdb5.3* libext2fs2* libgdbm-compat4* libgdbm6* libnettle8* libnpth0* libreadline8* libssl3* libtirpc3* usrmerge* The following NEW packages will be installed: cpp-13-x86-64-linux-gnu cpp-x86-64-linux-gnu g++-13-x86-64-linux-gnu g++-x86-64-linux-gnu gcc-13-x86-64-linux-gnu gcc-14-base gcc-x86-64-linux-gnu libapt-pkg6.0t64 libdb5.3t64 libext2fs2t64 libgdbm-compat4t64 libgdbm6t64 libnettle8t64 libnpth0t64 libperl5.38t64 libreadline8t64 libssl3t64 libtirpc3t64 libunistring5 perl-modules-5.38 The following packages have been kept back: apt apt-utils optipng The following packages will be upgraded: base-files base-passwd bash bash-completion binutils binutils-common binutils-x86-64-linux-gnu bsdextrautils bsdutils bzip2 ca-certificates coreutils cpp cpp-13 dash debconf debconf-i18n debianutils diffutils dpkg dpkg-dev e2fsprogs fakeroot g++ g++-13 gcc gcc-13 gcc-13-base gpg gpg-agent gpgconf gpgv grep gzip hostname init init-system-helpers krb5-locales libacl1 libapparmor1 libargon2-1 libasan8 libatomic1 libattr1 libaudit-common libaudit1 libbinutils libblkid1 libbz2-1.0 libc-bin libc-dev-bin libc6 libc6-dev libcap-ng0 libcap2 libcc1-0 libcom-err2 libcrypt-dev libcrypt1 libcryptsetup12 libctf-nobfd0 libctf0 libdebconfclient0 libdevmapper1.02.1 libdpkg-perl libfakeroot libfdisk1 libffi8 libgcc-13-dev libgcc-s1 libgcrypt20 libgnutls30 libgomp1 libgpg-error-l10n libgpg-error0 libgprofng0 libgssapi-krb5-2 libhwasan0 libidn2-0 libip4tc2 libitm1 libk5crypto3 libkeyutils1 libkmod2 libkrb5-3 libkrb5support0 liblocale-gettext-perl liblsan0 liblzma5 libmd0 libmount1 libncursesw6 libnsl-dev libnsl2 libnss-nisplus libp11-kit0 libpam-modules libpam-modules-bin libpam-runtime libpam0g libpcre2-8-0 libpng16-16 libproc2-0 libquadmath0 libseccomp2 libselinux1 libsemanage-common libsemanage2 libsepol2 libsframe1 libsmartcols1 libsqlite3-0 libss2 libstdc++-13-dev libstdc++6 libsystemd-shared libsystemd0 libtext-charwidth-perl libtext-iconv-perl libtinfo6 libtirpc-common libtirpc-dev libtsan2 libubsan1 libudev1 libuuid1 libxxhash0 libzstd1 linux-libc-dev login logsave lto-disabled-list mawk mount ncurses-base ncurses-bin openssl passwd perl perl-base pinentry-curses procps psmisc readline-common sed sensible-utils systemd systemd-dev systemd-sysv sysvinit-utils tar tzdata ubuntu-keyring util-linux uuid-runtime xz-utils zlib1g 157 upgraded, 20 newly installed, 11 to remove and 3 not upgraded. Need to get 117 MB of archives. After this operation, 77.2 MB of additional disk space will be used. Get:1 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libnsl-dev amd64 1.3.0-3build2 [70.5 kB] Get:2 http://ftpmaster.internal/ubuntu noble/main amd64 libcrypt-dev amd64 1:4.4.36-4 [128 kB] Get:3 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libc6-dev amd64 2.39-0ubuntu6 [2126 kB] Get:4 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libc-dev-bin amd64 2.39-0ubuntu6 [20.4 kB] Get:5 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtirpc-common all 1.3.4+ds-1.1 [8018 B] Get:6 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtirpc-dev amd64 1.3.4+ds-1.1 [193 kB] Get:7 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libnss-nisplus amd64 1.3-5 [22.3 kB] Get:8 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtirpc3t64 amd64 1.3.4+ds-1.1 [82.5 kB] Get:9 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgssapi-krb5-2 amd64 1.20.1-5.1build3 [142 kB] Get:10 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libkrb5-3 amd64 1.20.1-5.1build3 [347 kB] Get:11 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libk5crypto3 amd64 1.20.1-5.1build3 [81.8 kB] Get:12 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libkrb5support0 amd64 1.20.1-5.1build3 [33.5 kB] Get:13 http://ftpmaster.internal/ubuntu noble/main amd64 libacl1 amd64 2.3.2-1 [16.7 kB] Get:14 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libapparmor1 amd64 4.0.0~beta2-0ubuntu3 [49.2 kB] Get:15 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libaudit-common all 1:3.1.2-2.1 [5674 B] Get:16 http://ftpmaster.internal/ubuntu noble/main amd64 libcap-ng0 amd64 0.8.4-2 [15.0 kB] Get:17 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libaudit1 amd64 1:3.1.2-2.1 [46.8 kB] Get:18 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libblkid1 amd64 2.39.3-9ubuntu2 [122 kB] Get:19 http://ftpmaster.internal/ubuntu noble/main amd64 libcap2 amd64 1:2.66-5ubuntu1 [29.9 kB] Get:20 http://ftpmaster.internal/ubuntu noble/main amd64 libcrypt1 amd64 1:4.4.36-4 [95.3 kB] Get:21 http://ftpmaster.internal/ubuntu noble/main amd64 libgpg-error-l10n all 1.47-3build1 [8024 B] Get:22 http://ftpmaster.internal/ubuntu noble/main amd64 libgpg-error0 amd64 1.47-3build1 [70.0 kB] Get:23 http://ftpmaster.internal/ubuntu noble/main amd64 libgcrypt20 amd64 1.10.3-2 [532 kB] Get:24 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 liblzma5 amd64 5.6.0-0.2 [157 kB] Get:25 http://ftpmaster.internal/ubuntu noble/main amd64 libzstd1 amd64 1.5.5+dfsg2-2 [297 kB] Get:26 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libkmod2 amd64 31+20240202-2ubuntu4 [51.5 kB] Get:27 http://ftpmaster.internal/ubuntu noble/main amd64 libpcre2-8-0 amd64 10.42-4ubuntu1 [228 kB] Get:28 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libselinux1 amd64 3.5-2build2 [79.2 kB] Get:29 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libmount1 amd64 2.39.3-9ubuntu2 [134 kB] Get:30 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 perl-modules-5.38 all 5.38.2-3.2 [3110 kB] Get:31 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libdb5.3t64 amd64 5.3.28+dfsg2-5build1 [734 kB] Get:32 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgdbm6t64 amd64 1.23-5.1 [34.4 kB] Get:33 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgdbm-compat4t64 amd64 1.23-5.1 [6700 B] Get:34 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libperl5.38t64 amd64 5.38.2-3.2 [4871 kB] Get:35 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 perl amd64 5.38.2-3.2 [231 kB] Get:36 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 perl-base amd64 5.38.2-3.2 [1823 kB] Get:37 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 liblocale-gettext-perl amd64 1.07-6ubuntu3 [15.7 kB] Get:38 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtext-iconv-perl amd64 1.7-8build2 [13.5 kB] Get:39 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtext-charwidth-perl amd64 0.04-11build2 [9322 B] Get:40 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libc6 amd64 2.39-0ubuntu6 [3262 kB] Get:41 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libc-bin amd64 2.39-0ubuntu6 [682 kB] Get:42 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 openssl amd64 3.0.13-0ubuntu1 [1003 kB] Get:43 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsystemd-shared amd64 255.4-1ubuntu4 [2067 kB] Get:44 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libcryptsetup12 amd64 2:2.7.0-1ubuntu2 [266 kB] Get:45 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libssl3t64 amd64 3.0.13-0ubuntu1 [1886 kB] Get:46 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 systemd-dev all 255.4-1ubuntu4 [103 kB] Get:47 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 systemd-sysv amd64 255.4-1ubuntu4 [11.9 kB] Get:48 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 systemd amd64 255.4-1ubuntu4 [3470 kB] Get:49 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsystemd0 amd64 255.4-1ubuntu4 [432 kB] Get:50 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpam-modules-bin amd64 1.5.3-5ubuntu3 [51.9 kB] Get:51 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpam-modules amd64 1.5.3-5ubuntu3 [279 kB] Get:52 http://ftpmaster.internal/ubuntu noble/main amd64 bzip2 amd64 1.0.8-5ubuntu1 [34.6 kB] Get:53 http://ftpmaster.internal/ubuntu noble/main amd64 libbz2-1.0 amd64 1.0.8-5ubuntu1 [34.4 kB] Get:54 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 zlib1g amd64 1:1.3.dfsg-3.1ubuntu1 [62.7 kB] Get:55 http://ftpmaster.internal/ubuntu noble/main amd64 debconf-i18n all 1.5.86 [205 kB] Get:56 http://ftpmaster.internal/ubuntu noble/main amd64 debconf all 1.5.86 [124 kB] Get:57 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpam0g amd64 1.5.3-5ubuntu3 [67.5 kB] Get:58 http://ftpmaster.internal/ubuntu noble/main amd64 libseccomp2 amd64 2.5.5-1ubuntu1 [50.3 kB] Get:59 http://ftpmaster.internal/ubuntu noble/main amd64 libargon2-1 amd64 0~20190702+dfsg-4 [21.4 kB] Get:60 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libudev1 amd64 255.4-1ubuntu4 [174 kB] Get:61 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libdevmapper1.02.1 amd64 2:1.02.185-3ubuntu2 [139 kB] Get:62 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libuuid1 amd64 2.39.3-9ubuntu2 [35.0 kB] Get:63 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libfdisk1 amd64 2.39.3-9ubuntu2 [146 kB] Get:64 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 mount amd64 2.39.3-9ubuntu2 [118 kB] Get:65 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libcom-err2 amd64 1.47.0-2.4~exp1ubuntu2 [22.7 kB] Get:66 http://ftpmaster.internal/ubuntu noble/main amd64 libkeyutils1 amd64 1.6.3-3 [9386 B] Get:67 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libnsl2 amd64 1.3.0-3build2 [41.3 kB] Get:68 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 linux-libc-dev amd64 6.8.0-19.19 [1595 kB] Get:69 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 gcc-14-base amd64 14-20240315-1ubuntu1 [47.0 kB] Get:70 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgcc-s1 amd64 14-20240315-1ubuntu1 [78.1 kB] Get:71 http://ftpmaster.internal/ubuntu noble/main amd64 base-files amd64 13ubuntu7 [74.2 kB] Get:72 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 debianutils amd64 5.17 [89.8 kB] Get:73 http://ftpmaster.internal/ubuntu noble/main amd64 bash amd64 5.2.21-2ubuntu2 [794 kB] Get:74 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 bsdutils amd64 1:2.39.3-9ubuntu2 [94.9 kB] Get:75 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 coreutils amd64 9.4-3ubuntu3 [1411 kB] Get:76 http://ftpmaster.internal/ubuntu noble/main amd64 libp11-kit0 amd64 0.25.3-4ubuntu1 [299 kB] Get:77 http://ftpmaster.internal/ubuntu noble/main amd64 libunistring5 amd64 1.1-2 [537 kB] Get:78 http://ftpmaster.internal/ubuntu noble/main amd64 libgnutls30 amd64 3.8.3-1ubuntu1 [996 kB] Get:79 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libnettle8t64 amd64 3.9.1-2.2 [181 kB] Get:80 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libstdc++6 amd64 14-20240315-1ubuntu1 [795 kB] Get:81 http://ftpmaster.internal/ubuntu noble/main amd64 libxxhash0 amd64 0.8.2-2 [25.5 kB] Get:82 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libapt-pkg6.0t64 amd64 2.7.13ubuntu1 [985 kB] Get:83 http://ftpmaster.internal/ubuntu noble/main amd64 tar amd64 1.35+dfsg-3 [253 kB] Get:84 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 dpkg amd64 1.22.5ubuntu4 [1284 kB] Get:85 http://ftpmaster.internal/ubuntu noble/main amd64 dash amd64 0.5.12-6ubuntu4 [89.8 kB] Get:86 http://ftpmaster.internal/ubuntu noble/main amd64 diffutils amd64 1:3.10-1 [176 kB] Get:87 http://ftpmaster.internal/ubuntu noble/main amd64 grep amd64 3.11-4 [176 kB] Get:88 http://ftpmaster.internal/ubuntu noble/main amd64 gzip amd64 1.12-1ubuntu2 [98.8 kB] Get:89 http://ftpmaster.internal/ubuntu noble/main amd64 hostname amd64 3.23+nmu2ubuntu1 [11.0 kB] Get:90 http://ftpmaster.internal/ubuntu noble/main amd64 login amd64 1:4.13+dfsg1-4ubuntu1 [201 kB] Get:91 http://ftpmaster.internal/ubuntu noble/main amd64 ncurses-bin amd64 6.4+20240113-1ubuntu1 [188 kB] Get:92 http://ftpmaster.internal/ubuntu noble/main amd64 sed amd64 4.9-2 [204 kB] Get:93 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 util-linux amd64 2.39.3-9ubuntu2 [1127 kB] Get:94 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libdebconfclient0 amd64 0.271ubuntu2 [11.3 kB] Get:95 http://ftpmaster.internal/ubuntu noble/main amd64 base-passwd amd64 3.6.3 [51.2 kB] Get:96 http://ftpmaster.internal/ubuntu noble/main amd64 init-system-helpers all 1.66ubuntu1 [39.4 kB] Get:97 http://ftpmaster.internal/ubuntu noble/main amd64 ncurses-base all 6.4+20240113-1ubuntu1 [25.4 kB] Get:98 http://ftpmaster.internal/ubuntu noble/main amd64 sysvinit-utils amd64 3.08-6ubuntu2 [34.1 kB] Get:99 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 logsave amd64 1.47.0-2.4~exp1ubuntu2 [22.4 kB] Get:100 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libext2fs2t64 amd64 1.47.0-2.4~exp1ubuntu2 [221 kB] Get:101 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 e2fsprogs amd64 1.47.0-2.4~exp1ubuntu2 [601 kB] Get:102 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 gpg amd64 2.4.4-2ubuntu15 [565 kB] Get:103 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libreadline8t64 amd64 8.2-3.1 [153 kB] Get:104 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 gpgconf amd64 2.4.4-2ubuntu15 [103 kB] Get:105 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 gpg-agent amd64 2.4.4-2ubuntu15 [227 kB] Get:106 http://ftpmaster.internal/ubuntu noble/main amd64 libnpth0t64 amd64 1.6-3.1 [8316 B] Get:107 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 readline-common all 8.2-3.1 [56.4 kB] Get:108 http://ftpmaster.internal/ubuntu noble/main amd64 libncursesw6 amd64 6.4+20240113-1ubuntu1 [148 kB] Get:109 http://ftpmaster.internal/ubuntu noble/main amd64 libtinfo6 amd64 6.4+20240113-1ubuntu1 [108 kB] Get:110 http://ftpmaster.internal/ubuntu noble/main amd64 init amd64 1.66ubuntu1 [6186 B] Get:111 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsmartcols1 amd64 2.39.3-9ubuntu2 [64.4 kB] Get:112 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 uuid-runtime amd64 2.39.3-9ubuntu2 [33.0 kB] Get:113 http://ftpmaster.internal/ubuntu noble/main amd64 libattr1 amd64 1:2.5.2-1 [11.4 kB] Get:114 http://ftpmaster.internal/ubuntu noble/main amd64 libmd0 amd64 1.1.0-2 [27.1 kB] Get:115 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpam-runtime all 1.5.3-5ubuntu3 [40.8 kB] Get:116 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsemanage-common all 3.5-1build3 [10.1 kB] Get:117 http://ftpmaster.internal/ubuntu noble/main amd64 libsepol2 amd64 3.5-2 [300 kB] Get:118 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsemanage2 amd64 3.5-1build3 [93.0 kB] Get:119 http://ftpmaster.internal/ubuntu noble/main amd64 passwd amd64 1:4.13+dfsg1-4ubuntu1 [844 kB] Get:120 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 gpgv amd64 2.4.4-2ubuntu15 [157 kB] Get:121 http://ftpmaster.internal/ubuntu noble/main amd64 libffi8 amd64 3.4.6-1 [24.7 kB] Get:122 http://ftpmaster.internal/ubuntu noble/main amd64 libidn2-0 amd64 2.3.7-2 [66.0 kB] Get:123 http://ftpmaster.internal/ubuntu noble/main amd64 ubuntu-keyring all 2023.11.28.1 [11.1 kB] Get:124 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 g++-13 amd64 13.2.0-19ubuntu1 [14.5 kB] Get:125 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 gcc-13 amd64 13.2.0-19ubuntu1 [477 kB] Get:126 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 cpp-13 amd64 13.2.0-19ubuntu1 [1032 B] Get:127 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 cpp-13-x86-64-linux-gnu amd64 13.2.0-19ubuntu1 [11.2 MB] Get:128 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libcc1-0 amd64 14-20240315-1ubuntu1 [47.7 kB] Get:129 http://ftpmaster.internal/ubuntu noble/main amd64 libgprofng0 amd64 2.42-3ubuntu1 [851 kB] Get:130 http://ftpmaster.internal/ubuntu noble/main amd64 libctf0 amd64 2.42-3ubuntu1 [94.5 kB] Get:131 http://ftpmaster.internal/ubuntu noble/main amd64 libctf-nobfd0 amd64 2.42-3ubuntu1 [97.1 kB] Get:132 http://ftpmaster.internal/ubuntu noble/main amd64 libsframe1 amd64 2.42-3ubuntu1 [14.9 kB] Get:133 http://ftpmaster.internal/ubuntu noble/main amd64 binutils-x86-64-linux-gnu amd64 2.42-3ubuntu1 [2469 kB] Get:134 http://ftpmaster.internal/ubuntu noble/main amd64 libbinutils amd64 2.42-3ubuntu1 [573 kB] Get:135 http://ftpmaster.internal/ubuntu noble/main amd64 binutils amd64 2.42-3ubuntu1 [18.0 kB] Get:136 http://ftpmaster.internal/ubuntu noble/main amd64 binutils-common amd64 2.42-3ubuntu1 [239 kB] Get:137 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libstdc++-13-dev amd64 13.2.0-19ubuntu1 [2342 kB] Get:138 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgomp1 amd64 14-20240315-1ubuntu1 [147 kB] Get:139 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libitm1 amd64 14-20240315-1ubuntu1 [28.9 kB] Get:140 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libatomic1 amd64 14-20240315-1ubuntu1 [10.4 kB] Get:141 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libasan8 amd64 14-20240315-1ubuntu1 [3026 kB] Get:142 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 liblsan0 amd64 14-20240315-1ubuntu1 [1310 kB] Get:143 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgcc-13-dev amd64 13.2.0-19ubuntu1 [2687 kB] Get:144 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtsan2 amd64 14-20240315-1ubuntu1 [2732 kB] Get:145 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libubsan1 amd64 14-20240315-1ubuntu1 [1172 kB] Get:146 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libhwasan0 amd64 14-20240315-1ubuntu1 [1629 kB] Get:147 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libquadmath0 amd64 14-20240315-1ubuntu1 [155 kB] Get:148 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 gcc-13-x86-64-linux-gnu amd64 13.2.0-19ubuntu1 [21.8 MB] Get:149 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 g++-13-x86-64-linux-gnu amd64 13.2.0-19ubuntu1 [12.5 MB] Get:150 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 gcc-13-base amd64 13.2.0-19ubuntu1 [47.7 kB] Get:151 http://ftpmaster.internal/ubuntu noble/main amd64 libproc2-0 amd64 2:4.0.4-4ubuntu1 [59.2 kB] Get:152 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libss2 amd64 1.47.0-2.4~exp1ubuntu2 [17.0 kB] Get:153 http://ftpmaster.internal/ubuntu noble/main amd64 mawk amd64 1.3.4.20240123-1 [127 kB] Get:154 http://ftpmaster.internal/ubuntu noble/main amd64 procps amd64 2:4.0.4-4ubuntu1 [708 kB] Get:155 http://ftpmaster.internal/ubuntu noble/main amd64 sensible-utils all 0.0.22 [22.5 kB] Get:156 http://ftpmaster.internal/ubuntu noble/main amd64 ca-certificates all 20240203 [159 kB] Get:157 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 krb5-locales all 1.20.1-5.1build3 [13.8 kB] Get:158 http://ftpmaster.internal/ubuntu noble/main amd64 libip4tc2 amd64 1.8.10-3ubuntu1 [23.3 kB] Get:159 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsqlite3-0 amd64 3.45.1-1ubuntu1 [701 kB] Get:160 http://ftpmaster.internal/ubuntu noble/main amd64 tzdata all 2024a-1ubuntu1 [273 kB] Get:161 http://ftpmaster.internal/ubuntu noble/main amd64 bash-completion all 1:2.11-8 [180 kB] Get:162 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 bsdextrautils amd64 2.39.3-9ubuntu2 [73.6 kB] Get:163 http://ftpmaster.internal/ubuntu noble/main amd64 libpng16-16 amd64 1.6.43-1 [186 kB] Get:164 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 psmisc amd64 23.7-1 [179 kB] Get:165 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 xz-utils amd64 5.6.0-0.2 [272 kB] Get:166 http://ftpmaster.internal/ubuntu noble/main amd64 g++ amd64 4:13.2.0-7ubuntu1 [1100 B] Get:167 http://ftpmaster.internal/ubuntu noble/main amd64 gcc amd64 4:13.2.0-7ubuntu1 [5018 B] Get:168 http://ftpmaster.internal/ubuntu noble/main amd64 cpp amd64 4:13.2.0-7ubuntu1 [22.4 kB] Get:169 http://ftpmaster.internal/ubuntu noble/main amd64 cpp-x86-64-linux-gnu amd64 4:13.2.0-7ubuntu1 [5326 B] Get:170 http://ftpmaster.internal/ubuntu noble/main amd64 gcc-x86-64-linux-gnu amd64 4:13.2.0-7ubuntu1 [1212 B] Get:171 http://ftpmaster.internal/ubuntu noble/main amd64 g++-x86-64-linux-gnu amd64 4:13.2.0-7ubuntu1 [964 B] Get:172 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 dpkg-dev all 1.22.5ubuntu4 [1060 kB] Get:173 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libdpkg-perl all 1.22.5ubuntu4 [269 kB] Get:174 http://ftpmaster.internal/ubuntu noble/main amd64 lto-disabled-list all 47 [12.4 kB] Get:175 http://ftpmaster.internal/ubuntu noble/main amd64 libfakeroot amd64 1.33-1 [32.4 kB] Get:176 http://ftpmaster.internal/ubuntu noble/main amd64 fakeroot amd64 1.33-1 [67.2 kB] Get:177 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 pinentry-curses amd64 1.2.1-3ubuntu4 [35.2 kB] Preconfiguring packages ... 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Setting up gpgconf (2.4.4-2ubuntu15) ... Setting up libc6-dev:amd64 (2.39-0ubuntu6) ... Setting up gpg (2.4.4-2ubuntu15) ... Setting up libstdc++-13-dev:amd64 (13.2.0-19ubuntu1) ... Setting up binutils-x86-64-linux-gnu (2.42-3ubuntu1) ... Setting up cpp-x86-64-linux-gnu (4:13.2.0-7ubuntu1) ... Setting up gpg-agent (2.4.4-2ubuntu15) ... Setting up cpp-13 (13.2.0-19ubuntu1) ... Setting up libtirpc3t64:amd64 (1.3.4+ds-1.1) ... Setting up gcc-13-x86-64-linux-gnu (13.2.0-19ubuntu1) ... Setting up binutils (2.42-3ubuntu1) ... Setting up dpkg-dev (1.22.5ubuntu4) ... Setting up libtirpc-dev:amd64 (1.3.4+ds-1.1) ... Setting up gcc-13 (13.2.0-19ubuntu1) ... Setting up cpp (4:13.2.0-7ubuntu1) ... Setting up libnsl2:amd64 (1.3.0-3build2) ... Setting up g++-13-x86-64-linux-gnu (13.2.0-19ubuntu1) ... Setting up gcc-x86-64-linux-gnu (4:13.2.0-7ubuntu1) ... Setting up libnss-nisplus:amd64 (1.3-5) ... Setting up gcc (4:13.2.0-7ubuntu1) ... Setting up libnsl-dev:amd64 (1.3.0-3build2) ... Setting up g++-x86-64-linux-gnu (4:13.2.0-7ubuntu1) ... Setting up g++-13 (13.2.0-19ubuntu1) ... Setting up g++ (4:13.2.0-7ubuntu1) ... Processing triggers for libc-bin (2.39-0ubuntu6) ... Processing triggers for debianutils (5.17) ... (Reading database ... 15759 files and directories currently installed.) Purging configuration files for libssl3:amd64 (3.0.10-1ubuntu2) ... Processing triggers for ca-certificates (20240203) ... Updating certificates in /etc/ssl/certs... 0 added, 0 removed; done. Running hooks in /etc/ca-certificates/update.d... done. RUN: /usr/share/launchpad-buildd/bin/sbuild-package PACKAGEBUILD-27929703 amd64 noble-proposed -c chroot:build-PACKAGEBUILD-27929703 --arch=amd64 --dist=noble-proposed --nolog -A lammps_20240207+dfsg-1.1build2.dsc Initiating build PACKAGEBUILD-27929703 with 4 jobs across 4 processor cores. Kernel reported to sbuild: 5.4.0-173-generic #191-Ubuntu SMP Fri Feb 2 13:55:07 UTC 2024 x86_64 sbuild (Debian sbuild) 0.79.0 (05 February 2020) on bos03-amd64-042.buildd +==============================================================================+ | lammps 20240207+dfsg-1.1build2 (amd64) Sat, 16 Mar 2024 06:33:16 +0000 | +==============================================================================+ Package: lammps Version: 20240207+dfsg-1.1build2 Source Version: 20240207+dfsg-1.1build2 Distribution: noble-proposed Machine Architecture: amd64 Host Architecture: amd64 Build Architecture: amd64 Build Type: binary I: NOTICE: Log filtering will replace 'home/buildd/build-PACKAGEBUILD-27929703/chroot-autobuild' with '<>' I: NOTICE: Log filtering will replace 'build/lammps-IyBpdj/resolver-BI6xDd' with '<>' +------------------------------------------------------------------------------+ | Fetch source files | +------------------------------------------------------------------------------+ Local sources ------------- lammps_20240207+dfsg-1.1build2.dsc exists in .; copying to chroot I: NOTICE: Log filtering will replace 'build/lammps-IyBpdj/lammps-20240207+dfsg' with '<>' I: NOTICE: Log filtering will replace 'build/lammps-IyBpdj' with '<>' +------------------------------------------------------------------------------+ | Install package build dependencies | +------------------------------------------------------------------------------+ Setup apt archive ----------------- Merged Build-Depends: dpkg-dev (>= 1.22.5), cmake, debhelper-compat (= 13), dh-python, pybuild-plugin-pyproject, gfortran | fortran-compiler, libavcodec-dev, libeigen3-dev, libfftw3-dev, libhdf5-mpi-dev, libjpeg-dev, libkim-api-dev, libnetcdf-dev, libpnetcdf-dev, libsymspg-dev, libvtk9-dev, libvtk9-qt-dev, mpi-default-bin, mpi-default-dev, ocl-icd-opencl-dev | opencl-dev, python3-all-dev, python3-sphinx, voro++-dev, build-essential, fakeroot, libjs-sphinxdoc, libjs-jquery, libjs-mathjax, libjs-underscore, texlive-latex-recommended, texlive-fonts-recommended, texlive-latex-extra, tex-gyre, doxygen, sphinx-rtd-theme-common, latexmk, htmldoc, python3-sphinx-tabs, python3-sphinxcontrib.jquery, python3-sphinxcontrib.spelling, python3-breathe, python3-venv, git Filtered Build-Depends: dpkg-dev (>= 1.22.5), cmake, debhelper-compat (= 13), dh-python, pybuild-plugin-pyproject, gfortran | fortran-compiler, libavcodec-dev, libeigen3-dev, libfftw3-dev, libhdf5-mpi-dev, libjpeg-dev, libkim-api-dev, libnetcdf-dev, libpnetcdf-dev, libsymspg-dev, libvtk9-dev, libvtk9-qt-dev, mpi-default-bin, mpi-default-dev, ocl-icd-opencl-dev | opencl-dev, python3-all-dev, python3-sphinx, voro++-dev, build-essential, fakeroot, libjs-sphinxdoc, libjs-jquery, libjs-mathjax, libjs-underscore, texlive-latex-recommended, texlive-fonts-recommended, texlive-latex-extra, tex-gyre, doxygen, sphinx-rtd-theme-common, latexmk, htmldoc, python3-sphinx-tabs, python3-sphinxcontrib.jquery, python3-sphinxcontrib.spelling, python3-breathe, python3-venv, git dpkg-deb: building package 'sbuild-build-depends-main-dummy' in '/<>/apt_archive/sbuild-build-depends-main-dummy.deb'. Ign:1 copy:/<>/apt_archive ./ InRelease Get:2 copy:/<>/apt_archive ./ Release [963 B] Ign:3 copy:/<>/apt_archive ./ Release.gpg Get:4 copy:/<>/apt_archive ./ Sources [728 B] Get:5 copy:/<>/apt_archive ./ Packages [761 B] Fetched 2452 B in 0s (0 B/s) Reading package lists... Reading package lists... Install main build dependencies (apt-based resolver) ---------------------------------------------------- Installing build dependencies Reading package lists... Building dependency tree... Reading state information... The following packages were automatically installed and are no longer required: apt-utils bash-completion debconf-i18n krb5-locales libgpg-error-l10n libgpm2 libip4tc2 liblocale-gettext-perl libnsl-dev libnsl2 libnss-nis libnss-nisplus libperl5.36 libtext-charwidth-perl libtext-wrapi18n-perl libunistring2 perl-modules-5.36 psmisc uuid-runtime Use 'apt autoremove' to remove them. The following additional packages will be installed: adwaita-icon-theme at-spi2-common autoconf automake autopoint autotools-dev ca-certificates-java cmake cmake-data debhelper debugedit default-jdk default-jdk-headless default-jre default-jre-headless default-libmysqlclient-dev dh-autoreconf dh-python dh-strip-nondeterminism dictionaries-common docutils-common doxygen dwz emacsen-common file fontconfig fontconfig-config fonts-dejavu-core fonts-dejavu-mono fonts-font-awesome fonts-lato fonts-lmodern fonts-mathjax gdal-data gdal-plugins gettext gettext-base gfortran gfortran-13 gfortran-13-x86-64-linux-gnu gfortran-x86-64-linux-gnu git git-man graphviz groff-base gtk-update-icon-cache hdf5-helpers hicolor-icon-theme htmldoc htmldoc-common humanity-icon-theme hunspell-en-us ibverbs-providers icu-devtools intltool-debian iso-codes java-common latexmk libaec-dev libaec0 libamd-comgr2 libamdhip64-5 libann0 libaom-dev libaom3 libapache-pom-java libarchive-zip-perl libarchive13t64 libarmadillo-dev libarmadillo12 libarpack2-dev libarpack2t64 libasound2-data libasound2t64 libaspell15 libatk1.0-0t64 libavahi-client3 libavahi-common-data libavahi-common3 libavcodec-dev libavcodec60 libavformat-dev libavformat60 libavutil-dev libavutil58 libblas-dev libblas3 libblosc-dev libblosc1 libbluray2 libboost-dev libboost1.83-dev libbrotli-dev libbrotli1 libbsd0 libbz2-dev libcairo-gobject2 libcairo2 libcap2-bin libcbor0.10 libcdt5 libcfitsio-dev libcfitsio10t64 libcgraph6 libchromaprint1 libcjson1 libclang-cpp18 libclang1-15t64 libclang1-18 libcodec2-1.2 libcommons-logging-java libcommons-parent-java libcups2 libcurl3-gnutls libcurl4-openssl-dev libcurl4t64 libdatrie1 libdav1d-dev libdav1d7 libdbus-1-3 libde265-0 libde265-dev libdebhelper-perl libdeflate-dev libdeflate0 libdouble-conversion-dev libdouble-conversion3 libdrm-amdgpu1 libdrm-common libdrm-intel1 libdrm-nouveau2 libdrm-radeon1 libdrm2 libdw1t64 libedit2 libegl-dev libegl-mesa0 libegl1 libeigen3-dev libelf1t64 libenchant-2-2 liberror-perl libevdev2 libevent-2.1-7 libevent-core-2.1-7 libevent-dev libevent-extra-2.1-7 libevent-openssl-2.1-7 libevent-pthreads-2.1-7 libexpat1 libexpat1-dev libfabric1 libfftw3-bin libfftw3-dev libfftw3-double3 libfftw3-long3 libfftw3-quad3 libfftw3-single3 libfido2-1 libfile-stripnondeterminism-perl libfltk-images1.3 libfltk1.3 libfmt9 libfontbox-java libfontconfig-dev libfontconfig1 libfontconfig1-dev libfontenc1 libfreetype-dev libfreetype6 libfreexl-dev libfreexl1 libfribidi0 libfyba-dev libfyba0t64 libgbm1 libgd3 libgdal-dev libgdal34t64 libgdk-pixbuf-2.0-0 libgdk-pixbuf2.0-common libgeos-c1t64 libgeos-dev libgeos3.12.1t64 libgeotiff-dev libgeotiff5 libgfortran-13-dev libgfortran5 libgif-dev libgif7 libgl-dev libgl1 libgl1-mesa-dev libgl1-mesa-dri libgl2ps-dev libgl2ps1.4 libglapi-mesa libgles-dev libgles1 libgles2 libglew-dev libglew2.2 libglib2.0-0t64 libglu1-mesa libglu1-mesa-dev libglvnd-core-dev libglvnd-dev libglvnd0 libglx-dev libglx-mesa0 libglx0 libgme0 libgnutls30t64 libgraphite2-3 libgsm1 libgstreamer-plugins-base1.0-0 libgstreamer1.0-0 libgtk2.0-0t64 libgtk2.0-common libgts-0.7-5t64 libgudev-1.0-0 libgvc6 libgvpr2 libharfbuzz0b libhdf4-0-alt libhdf4-alt-dev libhdf5-103-1t64 libhdf5-cpp-103-1t64 libhdf5-dev libhdf5-fortran-102t64 libhdf5-hl-100t64 libhdf5-hl-cpp-100t64 libhdf5-hl-fortran-100t64 libhdf5-mpi-dev libhdf5-openmpi-103-1t64 libhdf5-openmpi-cpp-103-1t64 libhdf5-openmpi-dev libhdf5-openmpi-fortran-102t64 libhdf5-openmpi-hl-100t64 libhdf5-openmpi-hl-cpp-100t64 libhdf5-openmpi-hl-fortran-100t64 libheif-dev libheif-plugin-dav1d libheif-plugin-libde265 libheif1 libhogweed6t64 libhsa-runtime64-1 libhsakmt1 libhunspell-1.7-0 libhwloc-dev libhwloc-plugins libhwloc15 libhwy1t64 libhyphen0 libibverbs-dev libibverbs1 libice-dev libice6 libicu-dev libicu74 libinput-bin libinput10 libjbig-dev libjbig0 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-jquery-ui libjs-mathjax libjs-sphinxdoc libjs-underscore libjson-c-dev libjson-perl libjsoncpp-dev libjsoncpp25 libjxl0.7 libkim-api-dev libkim-api2 libkml-dev libkmlbase1t64 libkmlconvenience1t64 libkmldom1t64 libkmlengine1t64 libkmlregionator1t64 libkmlxsd1t64 libkpathsea6 liblab-gamut1 liblapack-dev liblapack3 liblcms2-2 libldap2 liblerc-dev liblerc4 libllvm15t64 libllvm17t64 libllvm18 libltdl-dev libltdl7 liblz4-dev liblzma-dev libmagic-mgc libmagic1t64 libmbedcrypto7 libmd4c0 libminizip-dev libminizip1t64 libmp3lame0 libmpg123-0 libmtdev1t64 libmunge2 libmysqlclient-dev libmysqlclient21 libnetcdf-dev libnetcdf19t64 libnghttp2-14 libnl-3-200 libnl-3-dev libnl-route-3-200 libnl-route-3-dev libnorm1t64 libnspr4 libnss3 libnuma-dev libnuma1 libodbc2 libodbccr2 libodbcinst2 libogdi-dev libogdi4.1 libogg-dev libogg0 libopengl-dev libopengl0 libopenjp2-7 libopenjp2-7-dev libopenmpi-dev libopenmpi3t64 libopenmpt0t64 libopus0 liborc-0.4-0t64 libpango-1.0-0 libpangocairo-1.0-0 libpangoft2-1.0-0 libpaper-utils libpaper1 libpathplan4 libpciaccess0 libpcre2-16-0 libpcre2-32-0 libpcre2-dev libpcre2-posix3 libpcsclite1 libpdfbox-java libpgm-5.3-0t64 libpipeline1 libpixman-1-0 libpkgconf3 libpmix-dev libpmix2t64 libpnetcdf-dev libpnetcdf0d libpng-dev libpng16-16t64 libpoppler-dev libpoppler-private-dev libpoppler134 libpotrace0 libpq-dev libpq5 libproj-dev libproj25 libpsl5t64 libpsm-infinipath1 libpsm2-2 libptexenc1 libpthread-stubs0-dev libpython3-all-dev libpython3-dev libpython3-stdlib libpython3.12-dev libpython3.12-minimal libpython3.12-stdlib libpython3.12t64 libqhull-dev libqhull-r8.0 libqhull8.0 libqhullcpp8.0 libqt5concurrent5t64 libqt5core5t64 libqt5dbus5t64 libqt5designer5 libqt5designercomponents5 libqt5gui5t64 libqt5help5 libqt5network5t64 libqt5opengl5-dev libqt5opengl5t64 libqt5positioning5 libqt5printsupport5t64 libqt5qml5 libqt5qmlmodels5 libqt5qmlworkerscript5 libqt5quick5 libqt5quickparticles5 libqt5quickshapes5 libqt5quicktest5 libqt5quickwidgets5 libqt5sensors5 libqt5sql5-sqlite libqt5sql5t64 libqt5test5t64 libqt5webchannel5 libqt5webkit5 libqt5webkit5-dev libqt5widgets5t64 libqt5xml5t64 librabbitmq4 librav1e0 librdmacm1t64 librhash0 librist4 librsvg2-2 librtmp1 librttopo-dev librttopo1 libsasl2-2 libsasl2-modules-db libsensors-config libsensors5 libsharpyuv-dev libsharpyuv0 libshine3 libsm-dev libsm6 libsnappy1v5 libsodium23 libsoxr0 libspatialite-dev libspatialite8t64 libspeex1 libsqlite3-dev libsrt1.5-gnutls libssh-4 libssh-gcrypt-4 libssl-dev libsub-override-perl libsuperlu-dev libsuperlu6 libsvtav1enc1d1 libswresample-dev libswresample4 libswscale-dev libswscale7 libsymspg-dev libsymspg2 libsynctex2 libsz2 libtbb-dev libtbb12 libtbbbind-2-5 libtbbmalloc2 libtcl8.6 libteckit0 libtexlua53-5 libthai-data libthai0 libtheora-dev libtheora0 libtiff-dev libtiff6 libtiffxx6 libtk8.6 libtool libtwolame0 libuchardet0 libucx0 libudfread0 libunwind8 liburiparser-dev liburiparser1 libutfcpp-dev libuv1t64 libva-drm2 libva-x11-2 libva2 libvdpau1 libvorbis0a libvorbisenc2 libvorbisfile3 libvoro++1 libvpl2 libvpx8 libvtk9-dev libvtk9-java libvtk9-qt-dev libvtk9.1t64 libvtk9.1t64-qt libvulkan-dev libvulkan1 libwacom-common libwacom9 libwayland-client0 libwayland-server0 libwebp-dev libwebp7 libwebpdecoder3 libwebpdemux2 libwebpmux3 libwoff1 libx11-6 libx11-data libx11-dev libx11-xcb1 libx264-164 libx265-199 libx265-dev libxapian30 libxau-dev libxau6 libxaw7 libxcb-dri2-0 libxcb-dri3-0 libxcb-glx0 libxcb-icccm4 libxcb-image0 libxcb-keysyms1 libxcb-present0 libxcb-randr0 libxcb-render-util0 libxcb-render0 libxcb-shape0 libxcb-shm0 libxcb-sync1 libxcb-util1 libxcb-xfixes0 libxcb-xinerama0 libxcb-xinput0 libxcb-xkb1 libxcb1 libxcb1-dev libxcomposite1 libxcursor1 libxdamage1 libxdmcp-dev libxdmcp6 libxerces-c-dev libxerces-c3.2t64 libxext-dev libxext6 libxfixes3 libxft-dev libxft2 libxi6 libxinerama1 libxkbcommon-x11-0 libxkbcommon0 libxml2 libxml2-dev libxmu6 libxnvctrl0 libxpm4 libxrandr2 libxrender-dev libxrender1 libxshmfence1 libxslt1.1 libxss-dev libxss1 libxt-dev libxt6t64 libxtst6 libxvidcore4 libxxf86vm1 libzmq5 libzstd-dev libzvbi-common libzvbi0t64 libzzip-0-13 m4 man-db media-types mpi-default-bin mpi-default-dev mysql-common netbase ocl-icd-libopencl1 ocl-icd-opencl-dev opencl-c-headers opencl-clhpp-headers openjdk-21-jdk openjdk-21-jdk-headless openjdk-21-jre openjdk-21-jre-headless openmpi-bin openmpi-common openssh-client pkg-config pkgconf pkgconf-bin po-debconf preview-latex-style proj-data pybuild-plugin-pyproject python-babel-localedata python3 python3-alabaster python3-all python3-all-dev python3-babel python3-breathe python3-build python3-certifi python3-chardet python3-dev python3-docutils python3-enchant python3-idna python3-imagesize python3-importlib-metadata python3-installer python3-jinja2 python3-markupsafe python3-minimal python3-more-itertools python3-mpi4py python3-packaging python3-pip-whl python3-pkg-resources python3-pygments python3-pyproject-hooks python3-requests python3-roman python3-setuptools python3-setuptools-whl python3-snowballstemmer python3-sphinx python3-sphinx-tabs python3-sphinxcontrib.jquery python3-sphinxcontrib.spelling python3-toml python3-tz python3-urllib3 python3-venv python3-vtk9 python3-wheel python3-zipp python3.12 python3.12-dev python3.12-minimal python3.12-venv qdoc-qt5 qhelpgenerator-qt5 qt5-assistant qt5-qmake qt5-qmake-bin qt5-qmltooling-plugins qtattributionsscanner-qt5 qtbase5-dev qtbase5-dev-tools qtchooser qtdeclarative5-dev qtdeclarative5-dev-tools qttools5-dev qttools5-dev-tools qttools5-private-dev sgml-base shared-mime-info sphinx-common sphinx-rtd-theme-common t1utils tcl tcl-dev tcl8.6 tcl8.6-dev tex-common tex-gyre texlive-base texlive-binaries texlive-fonts-recommended texlive-latex-base texlive-latex-extra texlive-latex-recommended texlive-pictures tk tk-dev tk8.6 tk8.6-dev ubuntu-mono ucf unixodbc-common unixodbc-dev uuid-dev voro++-dev vtk9 x11-common x11proto-dev xdg-utils xfonts-encodings xfonts-utils xkb-data xml-core xorg-sgml-doctools xtrans-dev zlib1g-dev Suggested packages: autoconf-archive gnu-standards autoconf-doc cmake-doc cmake-format elpa-cmake-mode ninja-build dh-make flit ispell | aspell | hunspell wordlist doxygen-latex doxygen-doc doxygen-gui gettext-doc libasprintf-dev libgettextpo-dev gfortran-multilib gfortran-doc gfortran-13-multilib gfortran-13-doc libcoarrays-dev git-daemon-run | git-daemon-sysvinit git-doc git-email git-gui gitk gitweb git-cvs git-mediawiki git-svn gsfonts graphviz-doc groff hunspell openoffice.org-hunspell | openoffice.org-core isoquery ghostscript lrzip libitpp-dev alsa-utils libasound2-plugins aspell libcuda1 libnvcuvid1 libnvidia-encode1 liblapack-doc libbluray-bdj libboost-doc libboost1.83-doc libboost-atomic1.83-dev libboost-chrono1.83-dev libboost-container1.83-dev libboost-context1.83-dev libboost-contract1.83-dev libboost-coroutine1.83-dev libboost-date-time1.83-dev libboost-exception1.83-dev libboost-fiber1.83-dev libboost-filesystem1.83-dev libboost-graph-parallel1.83-dev libboost-graph1.83-dev libboost-iostreams1.83-dev libboost-json1.83-dev libboost-locale1.83-dev libboost-log1.83-dev libboost-math1.83-dev libboost-mpi-python1.83-dev libboost-mpi1.83-dev libboost-nowide1.83-dev libboost-numpy1.83-dev libboost-program-options1.83-dev libboost-python1.83-dev libboost-random1.83-dev libboost-regex1.83-dev libboost-serialization1.83-dev libboost-stacktrace1.83-dev libboost-system1.83-dev libboost-test1.83-dev libboost-thread1.83-dev libboost-timer1.83-dev libboost-type-erasure1.83-dev libboost-url1.83-dev libboost-wave1.83-dev libboost1.83-tools-dev libmpfrc++-dev libntl-dev libavalon-framework-java libexcalibur-logkit-java liblog4j1.2-java cups-common libcurl4-doc libidn-dev libkrb5-dev libldap2-dev librtmp-dev libssh2-1-dev libeigen3-doc libenchant-2-voikko libfftw3-doc freetype2-doc libgd-tools libgdal-doc libgeotiff-epsg geotiff-bin gdal-bin glew-utils low-memory-monitor gnutls-bin libvisual-0.4-plugins gstreamer1.0-tools gvfs libhdf4-doc hdf4-tools libhdf5-doc libheif-plugin-ffmpegdec libheif-plugin-jpegdec libheif-plugin-jpegenc libheif-plugin-j2kdec libheif-plugin-j2kenc libheif-plugin-rav1e libheif-plugin-svtenc libhwloc-contrib-plugins libice-doc icu-doc libjs-jquery-ui-docs fonts-mathjax-extras fonts-stix libjs-mathjax-doc liblcms2-utils libtool-doc liblzma-doc netcdf-bin netcdf-doc odbc-postgresql tdsodbc ogdi-bin openmpi-doc opus-tools pciutils pcscd postgresql-doc-16 proj-bin qgnomeplatform-qt5 qt5-image-formats-plugins librsvg2-bin lm-sensors libsm-doc speex sqlite3-doc libssl-doc libsuperlu-doc libtbb-doc gcj-jdk vtk9-doc vtk9-examples java-virtual-machine libwacom-bin libx11-doc libx265-doc xapian-tools libxcb-doc libxerces-c-doc libxext-doc libxt-doc m4-doc apparmor less www-browser opencl-icd opencl-clhpp-headers-doc openjdk-21-demo openjdk-21-source visualvm libnss-mdns fonts-dejavu-extra fonts-ipafont-gothic fonts-ipafont-mincho fonts-wqy-microhei | fonts-wqy-zenhei fonts-indic keychain libpam-ssh monkeysphere ssh-askpass libmail-box-perl python3-doc python3-tk breathe-doc python3-pip python-build-doc docutils-doc fonts-linuxlibertine | ttf-linux-libertine texlive-lang-french python-installer-doc python-jinja2-doc python3-numpy python-pygments-doc ttf-bitstream-vera python3-cryptography python3-openssl python3-socks python-requests-doc python-setuptools-doc python3-stemmer dvipng fonts-freefont-otf imagemagick-6.q16 python3-lib2to3 python3-sphinx-rtd-theme sphinx-doc texlive-plain-generic python3-sphinx-tabs-doc python3-brotli mayavi2 python3.12-doc binfmt-support qt5-doc firebird-dev sgml-base-doc tcl-doc tcl-tclreadline tcl8.6-doc gv | postscript-viewer perl-tk xpdf | pdf-viewer xzdec texlive-binaries-sse2 hintview texlive-fonts-recommended-doc texlive-latex-base-doc wp2latex icc-profiles libfile-which-perl texlive-latex-extra-doc texlive-science texlive-latex-recommended-doc texlive-luatex texlive-pstricks dot2tex prerex texlive-pictures-doc vprerex tk-doc tk8.6-doc Recommended packages: librsvg2-common curl | wget | lynx less fonts-liberation2 xpdf | pdf-viewer gv | postscript-viewer alsa-ucm-conf alsa-topology-conf aspell-en | aspell-dictionary | aspell6a-dictionary libaacs0 bzip2-doc libpam-cap libcfitsio-doc dbus enchant-2 libarchive-cpio-perl proj-bin libgdk-pixbuf2.0-bin libgl1-amber-dri libglib2.0-data xdg-user-dirs gstreamer1.0-plugins-base libgail-common libgtk2.0-bin libgts-bin libheif-plugin-aomenc libheif-plugin-x265 javascript-common libjson-xs-perl libldap-common libcoarrays-openmpi-dev libpng-tools poppler-data publicsuffix qttranslations5-l10n libqt5svg5 qt5-gtk-platformtheme qtwayland5 geoclue-2.0 libsasl2-modules va-driver-all | va-driver vdpau-driver-all | vdpau-driver mesa-vulkan-drivers | vulkan-icd libatk-wrapper-java-jni fonts-dejavu-extra xauth libmail-sendmail-perl python3-pil fonts-texgyre fonts-texgyre-math lmodern dvisvgm tipa libspreadsheet-parseexcel-perl texlive-plain-generic ruby libfile-mimeinfo-perl libnet-dbus-perl libx11-protocol-perl x11-utils x11-xserver-utils The following packages will be REMOVED: libgnutls30* libhogweed6* libpng16-16* The following NEW packages will be installed: adwaita-icon-theme at-spi2-common autoconf automake autopoint autotools-dev ca-certificates-java cmake cmake-data debhelper debugedit default-jdk default-jdk-headless default-jre default-jre-headless default-libmysqlclient-dev dh-autoreconf dh-python dh-strip-nondeterminism dictionaries-common docutils-common doxygen dwz emacsen-common file fontconfig fontconfig-config fonts-dejavu-core fonts-dejavu-mono fonts-font-awesome fonts-lato fonts-lmodern fonts-mathjax gdal-data gdal-plugins gettext gettext-base gfortran gfortran-13 gfortran-13-x86-64-linux-gnu gfortran-x86-64-linux-gnu git git-man graphviz groff-base gtk-update-icon-cache hdf5-helpers hicolor-icon-theme htmldoc htmldoc-common humanity-icon-theme hunspell-en-us ibverbs-providers icu-devtools intltool-debian iso-codes java-common latexmk libaec-dev libaec0 libamd-comgr2 libamdhip64-5 libann0 libaom-dev libaom3 libapache-pom-java libarchive-zip-perl libarchive13t64 libarmadillo-dev libarmadillo12 libarpack2-dev libarpack2t64 libasound2-data libasound2t64 libaspell15 libatk1.0-0t64 libavahi-client3 libavahi-common-data libavahi-common3 libavcodec-dev libavcodec60 libavformat-dev libavformat60 libavutil-dev libavutil58 libblas-dev libblas3 libblosc-dev libblosc1 libbluray2 libboost-dev libboost1.83-dev libbrotli-dev libbrotli1 libbsd0 libbz2-dev libcairo-gobject2 libcairo2 libcap2-bin libcbor0.10 libcdt5 libcfitsio-dev libcfitsio10t64 libcgraph6 libchromaprint1 libcjson1 libclang-cpp18 libclang1-15t64 libclang1-18 libcodec2-1.2 libcommons-logging-java libcommons-parent-java libcups2 libcurl3-gnutls libcurl4-openssl-dev libcurl4t64 libdatrie1 libdav1d-dev libdav1d7 libdbus-1-3 libde265-0 libde265-dev libdebhelper-perl libdeflate-dev libdeflate0 libdouble-conversion-dev libdouble-conversion3 libdrm-amdgpu1 libdrm-common libdrm-intel1 libdrm-nouveau2 libdrm-radeon1 libdrm2 libdw1t64 libedit2 libegl-dev libegl-mesa0 libegl1 libeigen3-dev libelf1t64 libenchant-2-2 liberror-perl libevdev2 libevent-2.1-7 libevent-core-2.1-7 libevent-dev libevent-extra-2.1-7 libevent-openssl-2.1-7 libevent-pthreads-2.1-7 libexpat1 libexpat1-dev libfabric1 libfftw3-bin libfftw3-dev libfftw3-double3 libfftw3-long3 libfftw3-quad3 libfftw3-single3 libfido2-1 libfile-stripnondeterminism-perl libfltk-images1.3 libfltk1.3 libfmt9 libfontbox-java libfontconfig-dev libfontconfig1 libfontconfig1-dev libfontenc1 libfreetype-dev libfreetype6 libfreexl-dev libfreexl1 libfribidi0 libfyba-dev libfyba0t64 libgbm1 libgd3 libgdal-dev libgdal34t64 libgdk-pixbuf-2.0-0 libgdk-pixbuf2.0-common libgeos-c1t64 libgeos-dev libgeos3.12.1t64 libgeotiff-dev libgeotiff5 libgfortran-13-dev libgfortran5 libgif-dev libgif7 libgl-dev libgl1 libgl1-mesa-dev libgl1-mesa-dri libgl2ps-dev libgl2ps1.4 libglapi-mesa libgles-dev libgles1 libgles2 libglew-dev libglew2.2 libglib2.0-0t64 libglu1-mesa libglu1-mesa-dev libglvnd-core-dev libglvnd-dev libglvnd0 libglx-dev libglx-mesa0 libglx0 libgme0 libgnutls30t64 libgraphite2-3 libgsm1 libgstreamer-plugins-base1.0-0 libgstreamer1.0-0 libgtk2.0-0t64 libgtk2.0-common libgts-0.7-5t64 libgudev-1.0-0 libgvc6 libgvpr2 libharfbuzz0b libhdf4-0-alt libhdf4-alt-dev libhdf5-103-1t64 libhdf5-cpp-103-1t64 libhdf5-dev libhdf5-fortran-102t64 libhdf5-hl-100t64 libhdf5-hl-cpp-100t64 libhdf5-hl-fortran-100t64 libhdf5-mpi-dev libhdf5-openmpi-103-1t64 libhdf5-openmpi-cpp-103-1t64 libhdf5-openmpi-dev libhdf5-openmpi-fortran-102t64 libhdf5-openmpi-hl-100t64 libhdf5-openmpi-hl-cpp-100t64 libhdf5-openmpi-hl-fortran-100t64 libheif-dev libheif-plugin-dav1d libheif-plugin-libde265 libheif1 libhogweed6t64 libhsa-runtime64-1 libhsakmt1 libhunspell-1.7-0 libhwloc-dev libhwloc-plugins libhwloc15 libhwy1t64 libhyphen0 libibverbs-dev libibverbs1 libice-dev libice6 libicu-dev libicu74 libinput-bin libinput10 libjbig-dev libjbig0 libjpeg-dev libjpeg-turbo8 libjpeg-turbo8-dev libjpeg8 libjpeg8-dev libjs-jquery libjs-jquery-ui libjs-mathjax libjs-sphinxdoc libjs-underscore libjson-c-dev libjson-perl libjsoncpp-dev libjsoncpp25 libjxl0.7 libkim-api-dev libkim-api2 libkml-dev libkmlbase1t64 libkmlconvenience1t64 libkmldom1t64 libkmlengine1t64 libkmlregionator1t64 libkmlxsd1t64 libkpathsea6 liblab-gamut1 liblapack-dev liblapack3 liblcms2-2 libldap2 liblerc-dev liblerc4 libllvm15t64 libllvm17t64 libllvm18 libltdl-dev libltdl7 liblz4-dev liblzma-dev libmagic-mgc libmagic1t64 libmbedcrypto7 libmd4c0 libminizip-dev libminizip1t64 libmp3lame0 libmpg123-0 libmtdev1t64 libmunge2 libmysqlclient-dev libmysqlclient21 libnetcdf-dev libnetcdf19t64 libnghttp2-14 libnl-3-200 libnl-3-dev libnl-route-3-200 libnl-route-3-dev libnorm1t64 libnspr4 libnss3 libnuma-dev libnuma1 libodbc2 libodbccr2 libodbcinst2 libogdi-dev libogdi4.1 libogg-dev libogg0 libopengl-dev libopengl0 libopenjp2-7 libopenjp2-7-dev libopenmpi-dev libopenmpi3t64 libopenmpt0t64 libopus0 liborc-0.4-0t64 libpango-1.0-0 libpangocairo-1.0-0 libpangoft2-1.0-0 libpaper-utils libpaper1 libpathplan4 libpciaccess0 libpcre2-16-0 libpcre2-32-0 libpcre2-dev libpcre2-posix3 libpcsclite1 libpdfbox-java libpgm-5.3-0t64 libpipeline1 libpixman-1-0 libpkgconf3 libpmix-dev libpmix2t64 libpnetcdf-dev libpnetcdf0d libpng-dev libpng16-16t64 libpoppler-dev libpoppler-private-dev libpoppler134 libpotrace0 libpq-dev libpq5 libproj-dev libproj25 libpsl5t64 libpsm-infinipath1 libpsm2-2 libptexenc1 libpthread-stubs0-dev libpython3-all-dev libpython3-dev libpython3-stdlib libpython3.12-dev libpython3.12-minimal libpython3.12-stdlib libpython3.12t64 libqhull-dev libqhull-r8.0 libqhull8.0 libqhullcpp8.0 libqt5concurrent5t64 libqt5core5t64 libqt5dbus5t64 libqt5designer5 libqt5designercomponents5 libqt5gui5t64 libqt5help5 libqt5network5t64 libqt5opengl5-dev libqt5opengl5t64 libqt5positioning5 libqt5printsupport5t64 libqt5qml5 libqt5qmlmodels5 libqt5qmlworkerscript5 libqt5quick5 libqt5quickparticles5 libqt5quickshapes5 libqt5quicktest5 libqt5quickwidgets5 libqt5sensors5 libqt5sql5-sqlite libqt5sql5t64 libqt5test5t64 libqt5webchannel5 libqt5webkit5 libqt5webkit5-dev libqt5widgets5t64 libqt5xml5t64 librabbitmq4 librav1e0 librdmacm1t64 librhash0 librist4 librsvg2-2 librtmp1 librttopo-dev librttopo1 libsasl2-2 libsasl2-modules-db libsensors-config libsensors5 libsharpyuv-dev libsharpyuv0 libshine3 libsm-dev libsm6 libsnappy1v5 libsodium23 libsoxr0 libspatialite-dev libspatialite8t64 libspeex1 libsqlite3-dev libsrt1.5-gnutls libssh-4 libssh-gcrypt-4 libssl-dev libsub-override-perl libsuperlu-dev libsuperlu6 libsvtav1enc1d1 libswresample-dev libswresample4 libswscale-dev libswscale7 libsymspg-dev libsymspg2 libsynctex2 libsz2 libtbb-dev libtbb12 libtbbbind-2-5 libtbbmalloc2 libtcl8.6 libteckit0 libtexlua53-5 libthai-data libthai0 libtheora-dev libtheora0 libtiff-dev libtiff6 libtiffxx6 libtk8.6 libtool libtwolame0 libuchardet0 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libxkbcommon-x11-0 libxkbcommon0 libxml2 libxml2-dev libxmu6 libxnvctrl0 libxpm4 libxrandr2 libxrender-dev libxrender1 libxshmfence1 libxslt1.1 libxss-dev libxss1 libxt-dev libxt6t64 libxtst6 libxvidcore4 libxxf86vm1 libzmq5 libzstd-dev libzvbi-common libzvbi0t64 libzzip-0-13 m4 man-db media-types mpi-default-bin mpi-default-dev mysql-common netbase ocl-icd-libopencl1 ocl-icd-opencl-dev opencl-c-headers opencl-clhpp-headers openjdk-21-jdk openjdk-21-jdk-headless openjdk-21-jre openjdk-21-jre-headless openmpi-bin openmpi-common openssh-client pkg-config pkgconf pkgconf-bin po-debconf preview-latex-style proj-data pybuild-plugin-pyproject python-babel-localedata python3 python3-alabaster python3-all python3-all-dev python3-babel python3-breathe python3-build python3-certifi python3-chardet python3-dev python3-docutils python3-enchant python3-idna python3-imagesize python3-importlib-metadata python3-installer python3-jinja2 python3-markupsafe python3-minimal python3-more-itertools python3-mpi4py python3-packaging python3-pip-whl python3-pkg-resources python3-pygments python3-pyproject-hooks python3-requests python3-roman python3-setuptools python3-setuptools-whl python3-snowballstemmer python3-sphinx python3-sphinx-tabs python3-sphinxcontrib.jquery python3-sphinxcontrib.spelling python3-toml python3-tz python3-urllib3 python3-venv python3-vtk9 python3-wheel python3-zipp python3.12 python3.12-dev python3.12-minimal python3.12-venv qdoc-qt5 qhelpgenerator-qt5 qt5-assistant qt5-qmake qt5-qmake-bin qt5-qmltooling-plugins qtattributionsscanner-qt5 qtbase5-dev qtbase5-dev-tools qtchooser qtdeclarative5-dev qtdeclarative5-dev-tools qttools5-dev qttools5-dev-tools qttools5-private-dev sbuild-build-depends-main-dummy sgml-base shared-mime-info sphinx-common sphinx-rtd-theme-common t1utils tcl tcl-dev tcl8.6 tcl8.6-dev tex-common tex-gyre texlive-base texlive-binaries texlive-fonts-recommended texlive-latex-base texlive-latex-extra texlive-latex-recommended texlive-pictures tk tk-dev tk8.6 tk8.6-dev ubuntu-mono ucf unixodbc-common unixodbc-dev uuid-dev voro++-dev vtk9 x11-common x11proto-dev xdg-utils xfonts-encodings xfonts-utils xkb-data xml-core xorg-sgml-doctools xtrans-dev zlib1g-dev 0 upgraded, 708 newly installed, 3 to remove and 3 not upgraded. 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netbase all 6.4 [13.1 kB] Get:11 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpython3.12-stdlib amd64 3.12.2-4build2 [2000 kB] Get:12 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 python3.12 amd64 3.12.2-4build2 [645 kB] Get:13 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpython3-stdlib amd64 3.12.2-0ubuntu1 [9794 B] Get:14 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 python3 amd64 3.12.2-0ubuntu1 [24.1 kB] Get:15 http://ftpmaster.internal/ubuntu noble/main amd64 fonts-lato all 2.015-1 [2781 kB] Get:16 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libglib2.0-0t64 amd64 2.79.3-3ubuntu5 [1540 kB] Get:17 http://ftpmaster.internal/ubuntu noble/main amd64 libdrm-common all 2.4.120-2 [7998 B] Get:18 http://ftpmaster.internal/ubuntu noble/main amd64 libdrm2 amd64 2.4.120-2 [40.4 kB] Get:19 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libelf1t64 amd64 0.190-1.1build1 [57.5 kB] Get:20 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noble/main amd64 libvulkan1 amd64 1.3.275.0-1 [142 kB] Get:70 http://ftpmaster.internal/ubuntu noble/main amd64 libdrm-amdgpu1 amd64 2.4.120-2 [20.4 kB] Get:71 http://ftpmaster.internal/ubuntu noble/main amd64 libpciaccess0 amd64 0.17-3 [18.9 kB] Get:72 http://ftpmaster.internal/ubuntu noble/main amd64 libdrm-intel1 amd64 2.4.120-2 [63.8 kB] Get:73 http://ftpmaster.internal/ubuntu noble/main amd64 libdrm-nouveau2 amd64 2.4.120-2 [17.6 kB] Get:74 http://ftpmaster.internal/ubuntu noble/main amd64 libdrm-radeon1 amd64 2.4.120-2 [20.7 kB] Get:75 http://ftpmaster.internal/ubuntu noble/main amd64 libedit2 amd64 3.1-20230828-1 [95.8 kB] Get:76 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libllvm17t64 amd64 1:17.0.6-9 [26.2 MB] Get:77 http://ftpmaster.internal/ubuntu noble/main amd64 libsensors-config all 1:3.6.0-9 [5458 B] Get:78 http://ftpmaster.internal/ubuntu noble/main amd64 libsensors5 amd64 1:3.6.0-9 [26.5 kB] Get:79 http://ftpmaster.internal/ubuntu noble-proposed/main 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noble/main amd64 libsm6 amd64 2:1.2.3-1build2 [16.7 kB] Get:99 http://ftpmaster.internal/ubuntu noble/main amd64 libxcb-icccm4 amd64 0.4.1-1.1build2 [11.5 kB] Get:100 http://ftpmaster.internal/ubuntu noble/main amd64 libxcb-util1 amd64 0.4.0-1build2 [11.4 kB] Get:101 http://ftpmaster.internal/ubuntu noble/main amd64 libxcb-image0 amd64 0.4.0-2 [11.5 kB] Get:102 http://ftpmaster.internal/ubuntu noble/main amd64 libxcb-keysyms1 amd64 0.4.0-1build3 [8746 B] Get:103 http://ftpmaster.internal/ubuntu noble/main amd64 libxcb-render0 amd64 1.15-1 [16.3 kB] Get:104 http://ftpmaster.internal/ubuntu noble/main amd64 libxcb-render-util0 amd64 0.3.9-1build3 [10.3 kB] Get:105 http://ftpmaster.internal/ubuntu noble/main amd64 libxcb-shape0 amd64 1.15-1 [6106 B] Get:106 http://ftpmaster.internal/ubuntu noble/main amd64 libxcb-xinerama0 amd64 1.15-1 [5376 B] Get:107 http://ftpmaster.internal/ubuntu noble/main amd64 libxcb-xinput0 amd64 1.15-1 [33.5 kB] Get:108 http://ftpmaster.internal/ubuntu noble/main amd64 libxcb-xkb1 amd64 1.15-1 [32.1 kB] Get:109 http://ftpmaster.internal/ubuntu noble/main amd64 xkb-data all 2.41-2 [395 kB] Get:110 http://ftpmaster.internal/ubuntu noble/main amd64 libxkbcommon0 amd64 1.6.0-1 [123 kB] Get:111 http://ftpmaster.internal/ubuntu noble/main amd64 libxkbcommon-x11-0 amd64 1.6.0-1 [14.4 kB] Get:112 http://ftpmaster.internal/ubuntu noble/main amd64 libxrender1 amd64 1:0.9.10-1.1 [20.0 kB] Get:113 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5gui5t64 amd64 5.15.12+dfsg-3ubuntu5 [3747 kB] Get:114 http://ftpmaster.internal/ubuntu noble/universe amd64 libqt5positioning5 amd64 5.15.12+dfsg-2 [265 kB] Get:115 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libavahi-common-data amd64 0.8-13ubuntu4 [29.5 kB] Get:116 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libavahi-common3 amd64 0.8-13ubuntu4 [23.3 kB] Get:117 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libavahi-client3 amd64 0.8-13ubuntu4 [26.8 kB] Get:118 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libcups2 amd64 2.4.7-1ubuntu2 [269 kB] Get:119 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5widgets5t64 amd64 5.15.12+dfsg-3ubuntu5 [2561 kB] Get:120 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5printsupport5t64 amd64 5.15.12+dfsg-3ubuntu5 [208 kB] Get:121 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5qml5 amd64 5.15.12+dfsg-1build1 [1484 kB] Get:122 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5qmlmodels5 amd64 5.15.12+dfsg-1build1 [203 kB] Get:123 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5quick5 amd64 5.15.12+dfsg-1build1 [1735 kB] Get:124 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5sensors5 amd64 5.15.12-1build1 [122 kB] Get:125 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5webchannel5 amd64 5.15.12-1build1 [62.0 kB] Get:126 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsharpyuv0 amd64 1.3.2-0.4build1 [15.7 kB] Get:127 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libwebp7 amd64 1.3.2-0.4build1 [230 kB] Get:128 http://ftpmaster.internal/ubuntu noble/main amd64 libwoff1 amd64 1.0.2-2 [45.2 kB] Get:129 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libxslt1.1 amd64 1.1.39-0exp1 [167 kB] Get:130 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5webkit5 amd64 5.212.0~alpha4-34ubuntu3 [12.9 MB] Get:131 http://ftpmaster.internal/ubuntu noble/main amd64 xorg-sgml-doctools all 1:1.11-1.1 [10.9 kB] Get:132 http://ftpmaster.internal/ubuntu noble/main amd64 x11proto-dev all 2023.2-1 [602 kB] Get:133 http://ftpmaster.internal/ubuntu noble/main amd64 libxau-dev amd64 1:1.0.9-1build5 [9724 B] Get:134 http://ftpmaster.internal/ubuntu noble/main amd64 libxdmcp-dev amd64 1:1.1.3-0ubuntu5 [26.5 kB] Get:135 http://ftpmaster.internal/ubuntu noble/main amd64 xtrans-dev all 1.4.0-1 [68.9 kB] Get:136 http://ftpmaster.internal/ubuntu noble/main amd64 libpthread-stubs0-dev amd64 0.4-1build2 [5516 B] Get:137 http://ftpmaster.internal/ubuntu noble/main amd64 libxcb1-dev amd64 1.15-1 [85.8 kB] Get:138 http://ftpmaster.internal/ubuntu noble/main amd64 libx11-dev amd64 2:1.8.7-1 [731 kB] Get:139 http://ftpmaster.internal/ubuntu noble/main amd64 libglx-dev amd64 1.7.0-1 [14.2 kB] Get:140 http://ftpmaster.internal/ubuntu noble/main amd64 libgl-dev amd64 1.7.0-1 [102 kB] Get:141 http://ftpmaster.internal/ubuntu noble/main amd64 libegl-dev amd64 1.7.0-1 [18.2 kB] Get:142 http://ftpmaster.internal/ubuntu noble/main amd64 libopengl0 amd64 1.7.0-1 [33.0 kB] Get:143 http://ftpmaster.internal/ubuntu noble/main amd64 libglu1-mesa amd64 9.0.2-1.1 [151 kB] Get:144 http://ftpmaster.internal/ubuntu noble/main amd64 libopengl-dev amd64 1.7.0-1 [3440 B] Get:145 http://ftpmaster.internal/ubuntu noble/main amd64 libglu1-mesa-dev amd64 9.0.2-1.1 [237 kB] Get:146 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5concurrent5t64 amd64 5.15.12+dfsg-3ubuntu5 [35.7 kB] Get:147 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5sql5t64 amd64 5.15.12+dfsg-3ubuntu5 [122 kB] Get:148 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5test5t64 amd64 5.15.12+dfsg-3ubuntu5 [148 kB] Get:149 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5xml5t64 amd64 5.15.12+dfsg-3ubuntu5 [124 kB] Get:150 http://ftpmaster.internal/ubuntu noble/main amd64 libvulkan-dev amd64 1.3.275.0-1 [1239 kB] Get:151 http://ftpmaster.internal/ubuntu noble/main amd64 libxext-dev amd64 2:1.3.4-1build1 [84.7 kB] Get:152 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qt5-qmake-bin amd64 5.15.12+dfsg-3ubuntu5 [1140 kB] Get:153 http://ftpmaster.internal/ubuntu noble/universe amd64 qtchooser amd64 66-2build1 [24.7 kB] Get:154 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qt5-qmake amd64 5.15.12+dfsg-3ubuntu5 [209 kB] Get:155 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qtbase5-dev-tools amd64 5.15.12+dfsg-3ubuntu5 [822 kB] Get:156 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qtbase5-dev amd64 5.15.12+dfsg-3ubuntu5 [1125 kB] Get:157 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5qmlworkerscript5 amd64 5.15.12+dfsg-1build1 [33.6 kB] Get:158 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5quickparticles5 amd64 5.15.12+dfsg-1build1 [216 kB] Get:159 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5quickshapes5 amd64 5.15.12+dfsg-1build1 [101 kB] Get:160 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5quicktest5 amd64 5.15.12+dfsg-1build1 [57.0 kB] Get:161 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5quickwidgets5 amd64 5.15.12+dfsg-1build1 [38.4 kB] Get:162 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qt5-qmltooling-plugins amd64 5.15.12+dfsg-1build1 [190 kB] Get:163 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qtdeclarative5-dev-tools amd64 5.15.12+dfsg-1build1 [676 kB] Get:164 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qtdeclarative5-dev amd64 5.15.12+dfsg-1build1 [488 kB] Get:165 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5webkit5-dev amd64 5.212.0~alpha4-34ubuntu3 [54.6 kB] Get:166 http://ftpmaster.internal/ubuntu noble/main amd64 sgml-base all 1.31 [11.4 kB] Get:167 http://ftpmaster.internal/ubuntu noble/main amd64 libfribidi0 amd64 1.0.13-3 [26.1 kB] Get:168 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 python3-pkg-resources all 68.1.2-2ubuntu1 [168 kB] Get:169 http://ftpmaster.internal/ubuntu noble/main amd64 python3-pygments all 2.17.2+dfsg-1 [819 kB] Get:170 http://ftpmaster.internal/ubuntu noble/main amd64 ucf all 3.0043+nmu1 [56.5 kB] Get:171 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libmagic-mgc amd64 1:5.45-3 [307 kB] Get:172 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libmagic1t64 amd64 1:5.45-3 [87.2 kB] Get:173 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 file amd64 1:5.45-3 [22.0 kB] Get:174 http://ftpmaster.internal/ubuntu noble/main amd64 gettext-base amd64 0.21-14ubuntu1 [38.3 kB] Get:175 http://ftpmaster.internal/ubuntu noble/main amd64 libuchardet0 amd64 0.0.8-1 [75.3 kB] Get:176 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 groff-base amd64 1.23.0-3build1 [1020 kB] Get:177 http://ftpmaster.internal/ubuntu noble/main amd64 libcbor0.10 amd64 0.10.2-1.2ubuntu1 [25.8 kB] Get:178 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libfido2-1 amd64 1.14.0-1build1 [83.6 kB] Get:179 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libnghttp2-14 amd64 1.59.0-1build1 [73.8 kB] Get:180 http://ftpmaster.internal/ubuntu noble/main amd64 libnuma1 amd64 2.0.18-1 [23.2 kB] Get:181 http://ftpmaster.internal/ubuntu noble/main amd64 libpipeline1 amd64 1.5.7-1 [23.3 kB] Get:182 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 man-db amd64 2.12.0-3build4 [1230 kB] Get:183 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 openssh-client amd64 1:9.6p1-3ubuntu8 [904 kB] Get:184 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgdk-pixbuf2.0-common all 2.42.10+dfsg-3ubuntu1 [7774 B] Get:185 http://ftpmaster.internal/ubuntu noble/main amd64 libdeflate0 amd64 1.19-1 [43.7 kB] Get:186 http://ftpmaster.internal/ubuntu noble/main amd64 libjbig0 amd64 2.1-6.1ubuntu1 [29.3 kB] Get:187 http://ftpmaster.internal/ubuntu noble/main amd64 liblerc4 amd64 4.0.0+ds-4ubuntu1 [184 kB] Get:188 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtiff6 amd64 4.5.1+git230720-4ubuntu1 [199 kB] Get:189 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgdk-pixbuf-2.0-0 amd64 2.42.10+dfsg-3ubuntu1 [147 kB] Get:190 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 gtk-update-icon-cache amd64 3.24.41-1.1ubuntu1 [50.4 kB] Get:191 http://ftpmaster.internal/ubuntu noble/main amd64 hicolor-icon-theme all 0.17-2 [9976 B] Get:192 http://ftpmaster.internal/ubuntu noble/main amd64 humanity-icon-theme all 0.6.16 [1282 kB] Get:193 http://ftpmaster.internal/ubuntu noble/main amd64 ubuntu-mono all 24.04-0ubuntu1 [151 kB] Get:194 http://ftpmaster.internal/ubuntu noble/main amd64 adwaita-icon-theme all 46~rc-1 [723 kB] Get:195 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 at-spi2-common all 2.51.90-3 [8222 B] Get:196 http://ftpmaster.internal/ubuntu noble/main amd64 m4 amd64 1.4.19-4 [243 kB] Get:197 http://ftpmaster.internal/ubuntu noble/main amd64 autoconf all 2.71-3 [339 kB] Get:198 http://ftpmaster.internal/ubuntu noble/main amd64 autotools-dev all 20220109.1 [44.9 kB] Get:199 http://ftpmaster.internal/ubuntu noble/main amd64 automake all 1:1.16.5-1.3ubuntu1 [558 kB] Get:200 http://ftpmaster.internal/ubuntu noble/main amd64 autopoint all 0.21-14ubuntu1 [422 kB] Get:201 http://ftpmaster.internal/ubuntu noble/main amd64 ca-certificates-java all 20240118 [11.6 kB] Get:202 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libarchive13t64 amd64 3.7.2-1.1ubuntu1 [381 kB] Get:203 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsasl2-modules-db amd64 2.1.28+dfsg1-4ubuntu4 [20.3 kB] Get:204 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsasl2-2 amd64 2.1.28+dfsg1-4ubuntu4 [53.2 kB] Get:205 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libldap2 amd64 2.6.7+dfsg-1~exp1ubuntu6 [195 kB] Get:206 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpsl5t64 amd64 0.21.2-1.1 [57.0 kB] Get:207 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2build6 [56.3 kB] Get:208 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libssh-4 amd64 0.10.6-2build1 [188 kB] Get:209 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libcurl4t64 amd64 8.5.0-2ubuntu7 [340 kB] Get:210 http://ftpmaster.internal/ubuntu noble/main amd64 libjsoncpp25 amd64 1.9.5-6 [82.3 kB] Get:211 http://ftpmaster.internal/ubuntu noble/main amd64 librhash0 amd64 1.4.3-3 [128 kB] Get:212 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libuv1t64 amd64 1.48.0-1.1 [97.2 kB] Get:213 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 cmake-data all 3.28.3-1build4 [2155 kB] Get:214 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 cmake amd64 3.28.3-1build4 [11.2 MB] Get:215 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libdebhelper-perl all 13.14.1ubuntu5 [89.8 kB] Get:216 http://ftpmaster.internal/ubuntu noble/main amd64 libtool all 2.4.7-7 [166 kB] Get:217 http://ftpmaster.internal/ubuntu noble/main amd64 dh-autoreconf all 20 [16.1 kB] Get:218 http://ftpmaster.internal/ubuntu noble/main amd64 libarchive-zip-perl all 1.68-1 [90.2 kB] Get:219 http://ftpmaster.internal/ubuntu noble/main amd64 libsub-override-perl all 0.10-1 [10.0 kB] Get:220 http://ftpmaster.internal/ubuntu noble/main amd64 libfile-stripnondeterminism-perl all 1.13.1-1 [18.1 kB] Get:221 http://ftpmaster.internal/ubuntu noble/main amd64 dh-strip-nondeterminism all 1.13.1-1 [5362 B] Get:222 http://ftpmaster.internal/ubuntu noble/main amd64 debugedit amd64 1:5.0-5 [46.1 kB] Get:223 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 dwz amd64 0.15-1build5 [115 kB] Get:224 http://ftpmaster.internal/ubuntu noble/main amd64 gettext amd64 0.21-14ubuntu1 [864 kB] Get:225 http://ftpmaster.internal/ubuntu noble/main amd64 intltool-debian all 0.35.0+20060710.6 [23.2 kB] Get:226 http://ftpmaster.internal/ubuntu noble/main amd64 po-debconf all 1.0.21+nmu1 [233 kB] Get:227 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 debhelper all 13.14.1ubuntu5 [869 kB] Get:228 http://ftpmaster.internal/ubuntu noble/main amd64 java-common all 0.75+exp1 [6798 B] Get:229 http://ftpmaster.internal/ubuntu noble/main amd64 liblcms2-2 amd64 2.14-2 [161 kB] Get:230 http://ftpmaster.internal/ubuntu noble/main amd64 libnspr4 amd64 2:4.35-1.1 [117 kB] Get:231 http://ftpmaster.internal/ubuntu noble/main amd64 libnss3 amd64 2:3.98-1 [1445 kB] Get:232 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpcsclite1 amd64 2.0.3-1 [21.4 kB] Get:233 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 openjdk-21-jre-headless amd64 21.0.3~6ea-1 [46.6 MB] Get:234 http://ftpmaster.internal/ubuntu noble/main amd64 default-jre-headless amd64 2:1.21-75+exp1 [3094 B] Get:235 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgtk2.0-common all 2.24.33-3.1ubuntu1 [126 kB] Get:236 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libatk1.0-0t64 amd64 2.51.90-3 [54.7 kB] Get:237 http://ftpmaster.internal/ubuntu noble/main amd64 libpixman-1-0 amd64 0.42.2-1 [268 kB] Get:238 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libcairo2 amd64 1.18.0-1ubuntu1 [566 kB] Get:239 http://ftpmaster.internal/ubuntu noble/main amd64 libthai-data all 0.1.29-2 [158 kB] Get:240 http://ftpmaster.internal/ubuntu noble/main amd64 libdatrie1 amd64 0.2.13-3 [20.9 kB] Get:241 http://ftpmaster.internal/ubuntu noble/main amd64 libthai0 amd64 0.1.29-2 [18.8 kB] Get:242 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpango-1.0-0 amd64 1.52.1+ds-1 [231 kB] Get:243 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpangoft2-1.0-0 amd64 1.52.1+ds-1 [42.5 kB] Get:244 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpangocairo-1.0-0 amd64 1.52.1+ds-1 [28.8 kB] Get:245 http://ftpmaster.internal/ubuntu noble/main amd64 libxcomposite1 amd64 1:0.4.5-1build2 [7192 B] Get:246 http://ftpmaster.internal/ubuntu noble/main amd64 libxcursor1 amd64 1:1.2.1-1 [21.4 kB] Get:247 http://ftpmaster.internal/ubuntu noble/main amd64 libxdamage1 amd64 1:1.1.6-1 [6098 B] Get:248 http://ftpmaster.internal/ubuntu noble/main amd64 libxi6 amd64 2:1.8.1-1 [32.4 kB] Get:249 http://ftpmaster.internal/ubuntu noble/main amd64 libxinerama1 amd64 2:1.1.4-3 [7382 B] Get:250 http://ftpmaster.internal/ubuntu noble/main amd64 libxrandr2 amd64 2:1.5.2-2 [20.4 kB] Get:251 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgtk2.0-0t64 amd64 2.24.33-3.1ubuntu1 [2005 kB] Get:252 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libasound2-data all 1.2.11-1build1 [21.0 kB] Get:253 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libasound2t64 amd64 1.2.11-1build1 [396 kB] Get:254 http://ftpmaster.internal/ubuntu noble/main amd64 libgif7 amd64 5.2.1-2.5 [34.0 kB] Get:255 http://ftpmaster.internal/ubuntu noble/main amd64 libxtst6 amd64 2:1.2.3-1.1 [13.8 kB] Get:256 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 openjdk-21-jre amd64 21.0.3~6ea-1 [226 kB] Get:257 http://ftpmaster.internal/ubuntu noble/main amd64 default-jre amd64 2:1.21-75+exp1 [922 B] Get:258 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 openjdk-21-jdk-headless amd64 21.0.3~6ea-1 [82.5 MB] Get:259 http://ftpmaster.internal/ubuntu noble/main amd64 default-jdk-headless amd64 2:1.21-75+exp1 [960 B] Get:260 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 openjdk-21-jdk amd64 21.0.3~6ea-1 [10.9 kB] Get:261 http://ftpmaster.internal/ubuntu noble/main amd64 default-jdk amd64 2:1.21-75+exp1 [926 B] Get:262 http://ftpmaster.internal/ubuntu noble/main amd64 mysql-common all 5.8+1.1.0 [6626 B] Get:263 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libmysqlclient21 amd64 8.0.36-2ubuntu1 [1253 kB] Get:264 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libssl-dev amd64 3.0.13-0ubuntu1 [2381 kB] Get:265 http://ftpmaster.internal/ubuntu noble/main amd64 libzstd-dev amd64 1.5.5+dfsg2-2 [364 kB] Get:266 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 zlib1g-dev amd64 1:1.3.dfsg-3.1ubuntu1 [894 kB] Get:267 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libmysqlclient-dev amd64 8.0.36-2ubuntu1 [1544 kB] Get:268 http://ftpmaster.internal/ubuntu noble/main amd64 default-libmysqlclient-dev amd64 1.1.0 [3014 B] Get:269 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 python3-setuptools all 68.1.2-2ubuntu1 [396 kB] Get:270 http://ftpmaster.internal/ubuntu noble/universe amd64 dh-python all 6.20231223ubuntu2 [111 kB] Get:271 http://ftpmaster.internal/ubuntu noble/main amd64 emacsen-common all 3.0.5 [12.1 kB] Get:272 http://ftpmaster.internal/ubuntu noble/main amd64 dictionaries-common all 1.29.7 [188 kB] Get:273 http://ftpmaster.internal/ubuntu noble/main amd64 xml-core all 0.19 [20.3 kB] Get:274 http://ftpmaster.internal/ubuntu noble/main amd64 docutils-common all 0.20.1+dfsg-3 [132 kB] Get:275 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libllvm18 amd64 1:18.1.0-1ubuntu3 [27.5 MB] Get:276 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libclang-cpp18 amd64 1:18.1.0-1ubuntu3 [13.5 MB] Get:277 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libclang1-18 amd64 1:18.1.0-1ubuntu3 [7825 kB] Get:278 http://ftpmaster.internal/ubuntu noble/universe amd64 libfmt9 amd64 9.1.0+ds1-2 [63.0 kB] Get:279 http://ftpmaster.internal/ubuntu noble/universe amd64 libxapian30 amd64 1.4.22-1 [694 kB] Get:280 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 doxygen amd64 1.9.8+ds-2build3 [5201 kB] Get:281 http://ftpmaster.internal/ubuntu noble/main amd64 fonts-font-awesome all 5.0.10+really4.7.0~dfsg-4.1 [516 kB] Get:282 http://ftpmaster.internal/ubuntu noble/universe amd64 fonts-lmodern all 2.005-1 [4799 kB] Get:283 http://ftpmaster.internal/ubuntu noble/main amd64 fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] Get:284 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 gdal-data all 3.8.4+dfsg-3ubuntu1 [261 kB] Get:285 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 gdal-plugins amd64 3.8.4+dfsg-3ubuntu1 [24.7 kB] Get:286 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgfortran5 amd64 14-20240315-1ubuntu1 [924 kB] Get:287 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgfortran-13-dev amd64 13.2.0-19ubuntu1 [942 kB] Get:288 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 gfortran-13-x86-64-linux-gnu amd64 13.2.0-19ubuntu1 [11.6 MB] Get:289 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 gfortran-13 amd64 13.2.0-19ubuntu1 [10.4 kB] Get:290 http://ftpmaster.internal/ubuntu noble/main amd64 gfortran-x86-64-linux-gnu amd64 4:13.2.0-7ubuntu1 [1024 B] Get:291 http://ftpmaster.internal/ubuntu noble/main amd64 gfortran amd64 4:13.2.0-7ubuntu1 [1176 B] Get:292 http://ftpmaster.internal/ubuntu noble/main amd64 libcurl3-gnutls amd64 8.5.0-2ubuntu2 [332 kB] Get:293 http://ftpmaster.internal/ubuntu noble/main amd64 liberror-perl all 0.17029-2 [25.6 kB] Get:294 http://ftpmaster.internal/ubuntu noble/main amd64 git-man all 1:2.43.0-1ubuntu1 [1100 kB] Get:295 http://ftpmaster.internal/ubuntu noble/main amd64 git amd64 1:2.43.0-1ubuntu1 [3677 kB] Get:296 http://ftpmaster.internal/ubuntu noble/universe amd64 libann0 amd64 1.1.2+doc-9 [25.5 kB] Get:297 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libcdt5 amd64 2.42.2-8build4 [21.6 kB] Get:298 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libcgraph6 amd64 2.42.2-8build4 [44.6 kB] Get:299 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libxpm4 amd64 1:3.5.17-1build1 [36.8 kB] Get:300 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgd3 amd64 2.3.3-9ubuntu2 [126 kB] Get:301 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libgts-0.7-5t64 amd64 0.7.6+darcs121130-5.1ubuntu1 [161 kB] Get:302 http://ftpmaster.internal/ubuntu noble/main amd64 libltdl7 amd64 2.4.7-7 [40.5 kB] Get:303 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libpathplan4 amd64 2.42.2-8build4 [23.9 kB] Get:304 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libgvc6 amd64 2.42.2-8build4 [716 kB] Get:305 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libgvpr2 amd64 2.42.2-8build4 [187 kB] Get:306 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 liblab-gamut1 amd64 2.42.2-8build4 [1886 kB] Get:307 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libxt6t64 amd64 1:1.2.1-1.2 [171 kB] Get:308 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libxmu6 amd64 2:1.1.3-3build1 [47.6 kB] Get:309 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libxaw7 amd64 2:1.0.14-1build1 [187 kB] Get:310 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 graphviz amd64 2.42.2-8build4 [643 kB] Get:311 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 hdf5-helpers amd64 1.10.10+repack-3.1ubuntu2 [15.7 kB] Get:312 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 htmldoc-common all 1.9.17-1build1 [2020 kB] Get:313 http://ftpmaster.internal/ubuntu noble/main amd64 libxft2 amd64 2.3.6-1 [44.5 kB] Get:314 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libfltk1.3 amd64 1.3.8-6build1 [606 kB] Get:315 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libfltk-images1.3 amd64 1.3.8-6build1 [28.1 kB] Get:316 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 htmldoc amd64 1.9.17-1build1 [160 kB] Get:317 http://ftpmaster.internal/ubuntu noble/main amd64 hunspell-en-us all 1:2020.12.07-2 [280 kB] Get:318 http://ftpmaster.internal/ubuntu noble/main amd64 libnl-3-200 amd64 3.7.0-0.3 [55.5 kB] Get:319 http://ftpmaster.internal/ubuntu noble/main amd64 libnl-route-3-200 amd64 3.7.0-0.3 [189 kB] Get:320 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libibverbs1 amd64 50.0-2build1 [67.7 kB] Get:321 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 ibverbs-providers amd64 50.0-2build1 [374 kB] Get:322 http://ftpmaster.internal/ubuntu noble/main amd64 icu-devtools amd64 74.2-1ubuntu1 [212 kB] Get:323 http://ftpmaster.internal/ubuntu noble/universe amd64 tex-common all 6.18 [32.8 kB] Get:324 http://ftpmaster.internal/ubuntu noble/main amd64 libpaper1 amd64 1.1.29 [13.4 kB] Get:325 http://ftpmaster.internal/ubuntu noble/main amd64 libpaper-utils amd64 1.1.29 [8658 B] Get:326 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libkpathsea6 amd64 2023.20230311.66589-9build1 [62.9 kB] Get:327 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libptexenc1 amd64 2023.20230311.66589-9build1 [40.4 kB] Get:328 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsynctex2 amd64 2023.20230311.66589-9build1 [59.5 kB] Get:329 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtexlua53-5 amd64 2023.20230311.66589-9build1 [122 kB] Get:330 http://ftpmaster.internal/ubuntu noble/main amd64 t1utils amd64 1.41-4build2 [61.3 kB] Get:331 http://ftpmaster.internal/ubuntu noble/universe amd64 libpotrace0 amd64 1.16-2 [17.2 kB] Get:332 http://ftpmaster.internal/ubuntu noble/universe amd64 libteckit0 amd64 2.5.12+ds1-1 [411 kB] Get:333 http://ftpmaster.internal/ubuntu noble/universe amd64 libzzip-0-13 amd64 0.13.72+dfsg.1-1.1 [27.0 kB] Get:334 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 texlive-binaries amd64 2023.20230311.66589-9build1 [8529 kB] Get:335 http://ftpmaster.internal/ubuntu noble/main amd64 xdg-utils all 1.1.3-4.1ubuntu3 [62.0 kB] Get:336 http://ftpmaster.internal/ubuntu noble/universe amd64 texlive-base all 2023.20240207-1 [21.7 MB] Get:337 http://ftpmaster.internal/ubuntu noble/universe amd64 texlive-latex-base all 2023.20240207-1 [1238 kB] Get:338 http://ftpmaster.internal/ubuntu noble/universe amd64 latexmk all 1:4.83-1 [203 kB] Get:339 http://ftpmaster.internal/ubuntu noble/universe amd64 libaec0 amd64 1.1.2-1 [22.6 kB] Get:340 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libamd-comgr2 amd64 6.0+git20231212.4510c28+dfsg-3build1 [14.4 MB] Get:341 http://ftpmaster.internal/ubuntu noble/universe amd64 libhsakmt1 amd64 5.7.0-1 [63.0 kB] Get:342 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhsa-runtime64-1 amd64 5.7.1-1build1 [491 kB] Get:343 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libamdhip64-5 amd64 5.2.3-13 [5208 kB] Get:344 http://ftpmaster.internal/ubuntu noble/universe amd64 libaom3 amd64 3.8.1-1 [1940 kB] Get:345 http://ftpmaster.internal/ubuntu noble/universe amd64 libaom-dev amd64 3.8.1-1 [2266 kB] Get:346 http://ftpmaster.internal/ubuntu noble/universe amd64 libapache-pom-java all 29-2 [5284 B] Get:347 http://ftpmaster.internal/ubuntu noble/main amd64 libblas3 amd64 3.12.0-3 [238 kB] Get:348 http://ftpmaster.internal/ubuntu noble/main amd64 liblapack3 amd64 3.12.0-3 [2649 kB] Get:349 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libarpack2t64 amd64 3.9.1-1.1build1 [105 kB] Get:350 http://ftpmaster.internal/ubuntu noble/universe amd64 libsuperlu6 amd64 6.0.1+dfsg1-1 [184 kB] Get:351 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libarmadillo12 amd64 1:12.6.7+dfsg-1build1 [106 kB] Get:352 http://ftpmaster.internal/ubuntu noble/main amd64 libblas-dev amd64 3.12.0-3 [170 kB] Get:353 http://ftpmaster.internal/ubuntu noble/main amd64 liblapack-dev amd64 3.12.0-3 [5196 kB] Get:354 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libarpack2-dev amd64 3.9.1-1.1build1 [122 kB] Get:355 http://ftpmaster.internal/ubuntu noble/universe amd64 libsz2 amd64 1.1.2-1 [5416 B] Get:356 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-103-1t64 amd64 1.10.10+repack-3.1ubuntu2 [1272 kB] Get:357 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-fortran-102t64 amd64 1.10.10+repack-3.1ubuntu2 [84.8 kB] Get:358 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-hl-100t64 amd64 1.10.10+repack-3.1ubuntu2 [56.0 kB] Get:359 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-hl-fortran-100t64 amd64 1.10.10+repack-3.1ubuntu2 [31.5 kB] Get:360 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-cpp-103-1t64 amd64 1.10.10+repack-3.1ubuntu2 [127 kB] Get:361 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-hl-cpp-100t64 amd64 1.10.10+repack-3.1ubuntu2 [11.1 kB] Get:362 http://ftpmaster.internal/ubuntu noble/main amd64 libjpeg-turbo8-dev amd64 2.1.5-2ubuntu1 [294 kB] Get:363 http://ftpmaster.internal/ubuntu noble/main amd64 libjpeg8-dev amd64 8c-2ubuntu11 [1484 B] Get:364 http://ftpmaster.internal/ubuntu noble/main amd64 libjpeg-dev amd64 8c-2ubuntu11 [1482 B] Get:365 http://ftpmaster.internal/ubuntu noble/universe amd64 libaec-dev amd64 1.1.2-1 [19.5 kB] Get:366 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libcurl4-openssl-dev amd64 8.5.0-2ubuntu7 [446 kB] Get:367 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-dev amd64 1.10.10+repack-3.1ubuntu2 [2777 kB] Get:368 http://ftpmaster.internal/ubuntu noble/universe amd64 libsuperlu-dev amd64 6.0.1+dfsg1-1 [20.7 kB] Get:369 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libarmadillo-dev amd64 1:12.6.7+dfsg-1build1 [409 kB] Get:370 http://ftpmaster.internal/ubuntu noble/main amd64 libaspell15 amd64 0.60.8.1-1 [393 kB] Get:371 http://ftpmaster.internal/ubuntu noble/universe amd64 libva2 amd64 2.20.0-2 [66.4 kB] Get:372 http://ftpmaster.internal/ubuntu noble/universe amd64 libva-drm2 amd64 2.20.0-2 [7150 B] Get:373 http://ftpmaster.internal/ubuntu noble/universe amd64 libva-x11-2 amd64 2.20.0-2 [12.2 kB] Get:374 http://ftpmaster.internal/ubuntu noble/main amd64 libvdpau1 amd64 1.5-2 [27.8 kB] Get:375 http://ftpmaster.internal/ubuntu noble/universe amd64 libvpl2 amd64 2023.3.0-1 [98.3 kB] Get:376 http://ftpmaster.internal/ubuntu noble/universe amd64 ocl-icd-libopencl1 amd64 2.3.2-1 [38.3 kB] Get:377 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libavutil58 amd64 7:6.1.1-2ubuntu2 [401 kB] Get:378 http://ftpmaster.internal/ubuntu noble/universe amd64 libcodec2-1.2 amd64 1.2.0-2 [8999 kB] Get:379 http://ftpmaster.internal/ubuntu noble/universe amd64 libdav1d7 amd64 1.4.0-1 [605 kB] Get:380 http://ftpmaster.internal/ubuntu noble/universe amd64 libgsm1 amd64 1.0.22-1 [27.9 kB] Get:381 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhwy1t64 amd64 1.0.7-8.1 [584 kB] Get:382 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libjxl0.7 amd64 0.7.0-10.2ubuntu3 [999 kB] Get:383 http://ftpmaster.internal/ubuntu noble/main amd64 libmp3lame0 amd64 3.100-6 [143 kB] Get:384 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libopenjp2-7 amd64 2.5.0-2build1 [173 kB] Get:385 http://ftpmaster.internal/ubuntu noble/main amd64 libopus0 amd64 1.4-1 [208 kB] Get:386 http://ftpmaster.internal/ubuntu noble/universe amd64 librav1e0 amd64 0.7.1-2 [1022 kB] Get:387 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libcairo-gobject2 amd64 1.18.0-1ubuntu1 [127 kB] Get:388 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 librsvg2-2 amd64 2.57.91+dfsg-2ubuntu1 [2149 kB] Get:389 http://ftpmaster.internal/ubuntu noble/universe amd64 libshine3 amd64 3.1.1-2 [23.2 kB] Get:390 http://ftpmaster.internal/ubuntu noble/main amd64 libsnappy1v5 amd64 1.1.10-1 [28.4 kB] Get:391 http://ftpmaster.internal/ubuntu noble/main amd64 libspeex1 amd64 1.2.1-2ubuntu1 [58.8 kB] Get:392 http://ftpmaster.internal/ubuntu noble/universe amd64 libsvtav1enc1d1 amd64 1.7.0+dfsg-2 [2434 kB] Get:393 http://ftpmaster.internal/ubuntu noble/universe amd64 libsoxr0 amd64 0.1.3-4build2 [79.8 kB] Get:394 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libswresample4 amd64 7:6.1.1-2ubuntu2 [63.8 kB] Get:395 http://ftpmaster.internal/ubuntu noble/main amd64 libogg0 amd64 1.3.5-3 [22.4 kB] Get:396 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtheora0 amd64 1.1.1+dfsg.1-16.1build1 [212 kB] Get:397 http://ftpmaster.internal/ubuntu noble/main amd64 libtwolame0 amd64 0.4.0-2build2 [52.5 kB] Get:398 http://ftpmaster.internal/ubuntu noble/main amd64 libvorbis0a amd64 1.3.7-1build2 [99.2 kB] Get:399 http://ftpmaster.internal/ubuntu noble/main amd64 libvorbisenc2 amd64 1.3.7-1build2 [82.6 kB] Get:400 http://ftpmaster.internal/ubuntu noble/main amd64 libvpx8 amd64 1.13.1-2ubuntu1 [1122 kB] Get:401 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libwebpmux3 amd64 1.3.2-0.4build1 [25.7 kB] Get:402 http://ftpmaster.internal/ubuntu noble/universe amd64 libx264-164 amd64 2:0.164.3108+git31e19f9-1 [604 kB] Get:403 http://ftpmaster.internal/ubuntu noble/universe amd64 libx265-199 amd64 3.5-2 [1170 kB] Get:404 http://ftpmaster.internal/ubuntu noble/universe amd64 libxvidcore4 amd64 2:1.3.7-1 [201 kB] Get:405 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libzvbi-common all 0.2.42-1.2 [41.8 kB] Get:406 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libzvbi0t64 amd64 0.2.42-1.2 [260 kB] Get:407 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libavcodec60 amd64 7:6.1.1-2ubuntu2 [5862 kB] Get:408 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libavutil-dev amd64 7:6.1.1-2ubuntu2 [547 kB] Get:409 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libswresample-dev amd64 7:6.1.1-2ubuntu2 [79.5 kB] Get:410 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libavcodec-dev amd64 7:6.1.1-2ubuntu2 [6511 kB] Get:411 http://ftpmaster.internal/ubuntu noble/universe amd64 libudfread0 amd64 1.1.2-1 [16.2 kB] Get:412 http://ftpmaster.internal/ubuntu noble/universe amd64 libbluray2 amd64 1:1.3.4-1 [158 kB] Get:413 http://ftpmaster.internal/ubuntu noble/universe amd64 libchromaprint1 amd64 1.5.1-5 [30.5 kB] Get:414 http://ftpmaster.internal/ubuntu noble/universe amd64 libgme0 amd64 0.6.3-7 [133 kB] Get:415 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libmpg123-0 amd64 1.32.5-1build1 [169 kB] Get:416 http://ftpmaster.internal/ubuntu noble/main amd64 libvorbisfile3 amd64 1.3.7-1build2 [17.1 kB] Get:417 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libopenmpt0t64 amd64 0.7.3-1.1build1 [648 kB] Get:418 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 librabbitmq4 amd64 0.11.0-1build1 [37.5 kB] Get:419 http://ftpmaster.internal/ubuntu noble/universe amd64 libcjson1 amd64 1.7.17-1 [24.8 kB] Get:420 http://ftpmaster.internal/ubuntu noble/universe amd64 libmbedcrypto7 amd64 2.28.7-1ubuntu1 [206 kB] Get:421 http://ftpmaster.internal/ubuntu noble/universe amd64 librist4 amd64 0.2.10+dfsg-1 [75.3 kB] Get:422 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libsrt1.5-gnutls amd64 1.5.3-1build1 [316 kB] Get:423 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libssh-gcrypt-4 amd64 0.10.6-2build1 [223 kB] Get:424 http://ftpmaster.internal/ubuntu noble/universe amd64 libnorm1t64 amd64 1.5.9+dfsg-3.1 [154 kB] Get:425 http://ftpmaster.internal/ubuntu noble/universe amd64 libpgm-5.3-0t64 amd64 5.3.128~dfsg-2.1 [167 kB] Get:426 http://ftpmaster.internal/ubuntu noble/main amd64 libsodium23 amd64 1.0.18-1build2 [164 kB] Get:427 http://ftpmaster.internal/ubuntu noble/universe amd64 libzmq5 amd64 4.3.5-1build1 [260 kB] Get:428 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libavformat60 amd64 7:6.1.1-2ubuntu2 [1154 kB] Get:429 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libavformat-dev amd64 7:6.1.1-2ubuntu2 [1398 kB] Get:430 http://ftpmaster.internal/ubuntu noble/universe amd64 libblosc1 amd64 1.21.5+ds-1 [36.5 kB] Get:431 http://ftpmaster.internal/ubuntu noble/universe amd64 libblosc-dev amd64 1.21.5+ds-1 [44.0 kB] Get:432 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libboost1.83-dev amd64 1.83.0-2.1ubuntu2 [10.7 MB] Get:433 http://ftpmaster.internal/ubuntu noble/main amd64 libboost-dev amd64 1.83.0.1ubuntu2 [4308 B] Get:434 http://ftpmaster.internal/ubuntu noble/main amd64 libbrotli-dev amd64 1.1.0-2 [355 kB] Get:435 http://ftpmaster.internal/ubuntu noble/main amd64 libbz2-dev amd64 1.0.8-5ubuntu1 [33.6 kB] Get:436 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libcfitsio10t64 amd64 4.3.1-1.1 [528 kB] Get:437 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libcfitsio-dev amd64 4.3.1-1.1 [598 kB] Get:438 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libllvm15t64 amd64 1:15.0.7-14 [25.5 MB] Get:439 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libclang1-15t64 amd64 1:15.0.7-14 [6998 kB] Get:440 http://ftpmaster.internal/ubuntu noble/universe amd64 libcommons-parent-java all 56-1 [10.7 kB] Get:441 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libcommons-logging-java all 1.3.0-1ubuntu1 [63.8 kB] Get:442 http://ftpmaster.internal/ubuntu noble/universe amd64 libdav1d-dev amd64 1.4.0-1 [25.2 kB] Get:443 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libde265-0 amd64 1.0.15-1build1 [166 kB] Get:444 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libde265-dev amd64 1.0.15-1build1 [12.5 kB] Get:445 http://ftpmaster.internal/ubuntu noble/main amd64 libdeflate-dev amd64 1.19-1 [50.9 kB] Get:446 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libhunspell-1.7-0 amd64 1.7.2+really1.7.2-10build1 [294 kB] Get:447 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libenchant-2-2 amd64 2.3.3-2build1 [51.3 kB] Get:448 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libevent-2.1-7 amd64 2.1.12-stable-9build1 [144 kB] Get:449 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libevent-core-2.1-7 amd64 2.1.12-stable-9build1 [91.0 kB] Get:450 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libevent-extra-2.1-7 amd64 2.1.12-stable-9build1 [64.0 kB] Get:451 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libevent-pthreads-2.1-7 amd64 2.1.12-stable-9build1 [7810 B] Get:452 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libevent-openssl-2.1-7 amd64 2.1.12-stable-9build1 [15.7 kB] Get:453 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libevent-dev amd64 2.1.12-stable-9build1 [274 kB] Get:454 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libexpat1-dev amd64 2.6.1-2 [139 kB] Get:455 http://ftpmaster.internal/ubuntu noble/universe amd64 libpsm-infinipath1 amd64 3.3+20.604758e7-6.3 [178 kB] Get:456 http://ftpmaster.internal/ubuntu noble/universe amd64 libpsm2-2 amd64 11.2.185-2 [196 kB] Get:457 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 librdmacm1t64 amd64 50.0-2build1 [70.7 kB] Get:458 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libfabric1 amd64 1.17.0-3build1 [657 kB] Get:459 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libfftw3-double3 amd64 3.3.10-1ubuntu2 [838 kB] Get:460 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libfftw3-long3 amd64 3.3.10-1ubuntu2 [374 kB] Get:461 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libfftw3-quad3 amd64 3.3.10-1ubuntu2 [659 kB] Get:462 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libfftw3-single3 amd64 3.3.10-1ubuntu2 [868 kB] Get:463 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libfftw3-bin amd64 3.3.10-1ubuntu2 [39.2 kB] Get:464 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libfftw3-dev amd64 3.3.10-1ubuntu2 [2372 kB] Get:465 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpng-dev amd64 1.6.43-3 [264 kB] Get:466 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libfreetype-dev amd64 2.13.2+dfsg-1build1 [575 kB] Get:467 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 uuid-dev amd64 2.39.3-9ubuntu2 [33.5 kB] Get:468 http://ftpmaster.internal/ubuntu noble/main amd64 libpkgconf3 amd64 1.8.1-2 [31.1 kB] Get:469 http://ftpmaster.internal/ubuntu noble/main amd64 pkgconf-bin amd64 1.8.1-2 [20.7 kB] Get:470 http://ftpmaster.internal/ubuntu noble/main amd64 pkgconf amd64 1.8.1-2 [16.8 kB] Get:471 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libfontconfig-dev amd64 2.15.0-1.1ubuntu1 [161 kB] Get:472 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libfontconfig1-dev amd64 2.15.0-1.1ubuntu1 [1832 B] Get:473 http://ftpmaster.internal/ubuntu noble/main amd64 libfontenc1 amd64 1:1.1.8-1 [14.0 kB] Get:474 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libfyba0t64 amd64 4.1.1-11 [119 kB] Get:475 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libfyba-dev amd64 4.1.1-11 [178 kB] Get:476 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libminizip1t64 amd64 1:1.3.dfsg-3.1ubuntu1 [22.2 kB] Get:477 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libfreexl1 amd64 2.0.0-1build1 [41.6 kB] Get:478 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libgeos3.12.1t64 amd64 3.12.1-3 [849 kB] Get:479 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libgeos-c1t64 amd64 3.12.1-3 [94.5 kB] Get:480 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 proj-data all 9.4.0-1 [7885 kB] Get:481 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libproj25 amd64 9.4.0-1 [1396 kB] Get:482 http://ftpmaster.internal/ubuntu noble/universe amd64 libgeotiff5 amd64 1.7.1-5 [62.5 kB] Get:483 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf4-0-alt amd64 4.2.16-4 [282 kB] Get:484 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libheif-plugin-dav1d amd64 1.17.6-1ubuntu2 [10.0 kB] Get:485 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libheif-plugin-libde265 amd64 1.17.6-1ubuntu2 [8172 B] Get:486 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libheif1 amd64 1.17.6-1ubuntu2 [276 kB] Get:487 http://ftpmaster.internal/ubuntu noble/universe amd64 liburiparser1 amd64 0.9.7+dfsg-2 [35.9 kB] Get:488 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libkmlbase1t64 amd64 1.3.0-12 [49.9 kB] Get:489 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libkmldom1t64 amd64 1.3.0-12 [157 kB] Get:490 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libkmlengine1t64 amd64 1.3.0-12 [71.4 kB] Get:491 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libnetcdf19t64 amd64 1:4.9.2-5ubuntu2 [473 kB] Get:492 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libodbc2 amd64 2.3.12-1build1 [158 kB] Get:493 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 unixodbc-common all 2.3.12-1build1 [8612 B] Get:494 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libodbcinst2 amd64 2.3.12-1build1 [30.5 kB] Get:495 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libogdi4.1 amd64 4.1.1+ds-3 [226 kB] Get:496 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpoppler134 amd64 24.02.0-1ubuntu6 [1116 kB] Get:497 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpq5 amd64 16.2-1ubuntu2 [138 kB] Get:498 http://ftpmaster.internal/ubuntu noble/universe amd64 libqhull-r8.0 amd64 2020.2-6 [194 kB] Get:499 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 librttopo1 amd64 1.1.0-3build1 [191 kB] Get:500 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libspatialite8t64 amd64 5.1.0-3 [1915 kB] Get:501 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libxerces-c3.2t64 amd64 3.2.4+debian-1.2 [919 kB] Get:502 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libgdal34t64 amd64 3.8.4+dfsg-3ubuntu1 [8346 kB] Get:503 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libgeos-dev amd64 3.12.1-3 [54.4 kB] Get:504 http://ftpmaster.internal/ubuntu noble/main amd64 libgif-dev amd64 5.2.1-2.5 [22.7 kB] Get:505 http://ftpmaster.internal/ubuntu noble/universe amd64 libgl2ps1.4 amd64 1.4.2+dfsg1-2 [43.5 kB] Get:506 http://ftpmaster.internal/ubuntu noble/universe amd64 libgl2ps-dev amd64 1.4.2+dfsg1-2 [248 kB] Get:507 http://ftpmaster.internal/ubuntu noble/main amd64 libgles1 amd64 1.7.0-1 [11.3 kB] Get:508 http://ftpmaster.internal/ubuntu noble/main amd64 libgles2 amd64 1.7.0-1 [17.1 kB] Get:509 http://ftpmaster.internal/ubuntu noble/main amd64 libgles-dev amd64 1.7.0-1 [50.4 kB] Get:510 http://ftpmaster.internal/ubuntu noble/main amd64 libglvnd-core-dev amd64 1.7.0-1 [13.4 kB] Get:511 http://ftpmaster.internal/ubuntu noble/main amd64 libglvnd-dev amd64 1.7.0-1 [3192 B] Get:512 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libgl1-mesa-dev amd64 24.0.2-1ubuntu8 [16.7 kB] Get:513 http://ftpmaster.internal/ubuntu noble/universe amd64 libglew2.2 amd64 2.2.0-4 [196 kB] Get:514 http://ftpmaster.internal/ubuntu noble/universe amd64 libglew-dev amd64 2.2.0-4 [287 kB] Get:515 http://ftpmaster.internal/ubuntu noble/universe amd64 libhwloc15 amd64 2.10.0-1 [171 kB] Get:516 http://ftpmaster.internal/ubuntu noble/universe amd64 libmunge2 amd64 0.5.15-3ubuntu1 [14.6 kB] Get:517 http://ftpmaster.internal/ubuntu noble/main amd64 libxnvctrl0 amd64 510.47.03-0ubuntu1 [11.5 kB] Get:518 http://ftpmaster.internal/ubuntu noble/universe amd64 libhwloc-plugins amd64 2.10.0-1 [15.8 kB] Get:519 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libpmix2t64 amd64 5.0.1-4.1 [697 kB] Get:520 http://ftpmaster.internal/ubuntu noble/universe amd64 libucx0 amd64 1.16.0+ds-4 [1139 kB] Get:521 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libopenmpi3t64 amd64 4.1.6-6ubuntu1 [2563 kB] Get:522 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-openmpi-103-1t64 amd64 1.10.10+repack-3.1ubuntu2 [1325 kB] Get:523 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-openmpi-cpp-103-1t64 amd64 1.10.10+repack-3.1ubuntu2 [127 kB] Get:524 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-openmpi-fortran-102t64 amd64 1.10.10+repack-3.1ubuntu2 [85.4 kB] Get:525 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-openmpi-hl-100t64 amd64 1.10.10+repack-3.1ubuntu2 [56.1 kB] Get:526 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-openmpi-hl-cpp-100t64 amd64 1.10.10+repack-3.1ubuntu2 [11.1 kB] Get:527 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-openmpi-hl-fortran-100t64 amd64 1.10.10+repack-3.1ubuntu2 [31.4 kB] Get:528 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsharpyuv-dev amd64 1.3.2-0.4build1 [16.0 kB] Get:529 http://ftpmaster.internal/ubuntu noble/universe amd64 libx265-dev amd64 3.5-2 [1374 kB] Get:530 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libheif-dev amd64 1.17.6-1ubuntu2 [41.6 kB] Get:531 http://ftpmaster.internal/ubuntu noble/main amd64 libice-dev amd64 2:1.0.10-1build2 [51.4 kB] Get:532 http://ftpmaster.internal/ubuntu noble/main amd64 libicu-dev amd64 74.2-1ubuntu1 [11.9 MB] Get:533 http://ftpmaster.internal/ubuntu noble/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [328 kB] Get:534 http://ftpmaster.internal/ubuntu noble/universe amd64 libjs-jquery-ui all 1.13.2+dfsg-1 [252 kB] Get:535 http://ftpmaster.internal/ubuntu noble/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [118 kB] Get:536 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libjs-sphinxdoc all 7.2.6-5 [149 kB] Get:537 http://ftpmaster.internal/ubuntu noble/main amd64 libjson-perl all 4.10000-1 [81.9 kB] Get:538 http://ftpmaster.internal/ubuntu noble/universe amd64 libkim-api2 amd64 2.3.0-1 [582 kB] Get:539 http://ftpmaster.internal/ubuntu noble/universe amd64 libkim-api-dev amd64 2.3.0-1 [106 kB] Get:540 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libkmlconvenience1t64 amd64 1.3.0-12 [49.9 kB] Get:541 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libkmlregionator1t64 amd64 1.3.0-12 [21.4 kB] Get:542 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libkmlxsd1t64 amd64 1.3.0-12 [29.7 kB] Get:543 http://ftpmaster.internal/ubuntu noble/main amd64 liblerc-dev amd64 4.0.0+ds-4ubuntu1 [188 kB] Get:544 http://ftpmaster.internal/ubuntu noble/main amd64 libltdl-dev amd64 2.4.7-7 [169 kB] Get:545 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libminizip-dev amd64 1:1.3.dfsg-3.1ubuntu1 [30.2 kB] Get:546 http://ftpmaster.internal/ubuntu noble/main amd64 libxml2-dev amd64 2.9.14+dfsg-1.3ubuntu1 [780 kB] Get:547 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libnetcdf-dev amd64 1:4.9.2-5ubuntu2 [57.9 kB] Get:548 http://ftpmaster.internal/ubuntu noble/main amd64 libnl-3-dev amd64 3.7.0-0.3 [99.5 kB] Get:549 http://ftpmaster.internal/ubuntu noble/main amd64 libnl-route-3-dev amd64 3.7.0-0.3 [216 kB] Get:550 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libodbccr2 amd64 2.3.12-1build1 [16.1 kB] Get:551 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libogdi-dev amd64 4.1.1+ds-3 [22.8 kB] Get:552 http://ftpmaster.internal/ubuntu noble/main amd64 libogg-dev amd64 1.3.5-3 [161 kB] Get:553 http://ftpmaster.internal/ubuntu noble/main amd64 libpcre2-32-0 amd64 10.42-4ubuntu1 [198 kB] Get:554 http://ftpmaster.internal/ubuntu noble/main amd64 libpcre2-posix3 amd64 10.42-4ubuntu1 [6808 B] Get:555 http://ftpmaster.internal/ubuntu noble/main amd64 libpcre2-dev amd64 10.42-4ubuntu1 [743 kB] Get:556 http://ftpmaster.internal/ubuntu noble/main amd64 libnuma-dev amd64 2.0.18-1 [37.0 kB] Get:557 http://ftpmaster.internal/ubuntu noble/universe amd64 libhwloc-dev amd64 2.10.0-1 [267 kB] Get:558 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libpmix-dev amd64 5.0.1-4.1 [4018 kB] Get:559 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libpnetcdf0d amd64 1.12.3-2build1 [867 kB] Get:560 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libpnetcdf-dev amd64 1.12.3-2build1 [1173 kB] Get:561 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpoppler-dev amd64 24.02.0-1ubuntu6 [5200 B] Get:562 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpoppler-private-dev amd64 24.02.0-1ubuntu6 [197 kB] Get:563 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpq-dev amd64 16.2-1ubuntu2 [151 kB] Get:564 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpython3.12t64 amd64 3.12.2-4build2 [2332 kB] Get:565 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpython3.12-dev amd64 3.12.2-4build2 [5440 kB] Get:566 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpython3-dev amd64 3.12.2-0ubuntu1 [10.1 kB] Get:567 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libpython3-all-dev amd64 3.12.2-0ubuntu1 [910 B] Get:568 http://ftpmaster.internal/ubuntu noble/universe amd64 libqhull8.0 amd64 2020.2-6 [193 kB] Get:569 http://ftpmaster.internal/ubuntu noble/universe amd64 libqhullcpp8.0 amd64 2020.2-6 [51.0 kB] Get:570 http://ftpmaster.internal/ubuntu noble/universe amd64 libqhull-dev amd64 2020.2-6 [501 kB] Get:571 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5designer5 amd64 5.15.12-2build2 [2824 kB] Get:572 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5designercomponents5 amd64 5.15.12-2build2 [783 kB] Get:573 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5help5 amd64 5.15.12-2build2 [161 kB] Get:574 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5opengl5t64 amd64 5.15.12+dfsg-3ubuntu5 [150 kB] Get:575 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5opengl5-dev amd64 5.15.12+dfsg-3ubuntu5 [42.3 kB] Get:576 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libqt5sql5-sqlite amd64 5.15.12+dfsg-3ubuntu5 [51.5 kB] Get:577 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 librttopo-dev amd64 1.1.0-3build1 [238 kB] Get:578 http://ftpmaster.internal/ubuntu noble/main amd64 libsm-dev amd64 2:1.2.3-1build2 [18.1 kB] Get:579 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libsqlite3-dev amd64 3.45.1-1ubuntu1 [911 kB] Get:580 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libswscale7 amd64 7:6.1.1-2ubuntu2 [193 kB] Get:581 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libswscale-dev amd64 7:6.1.1-2ubuntu2 [224 kB] Get:582 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libsymspg2 amd64 2.3.1-1ubuntu1 [209 kB] Get:583 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libsymspg-dev amd64 2.3.1-1ubuntu1 [14.3 kB] Get:584 http://ftpmaster.internal/ubuntu noble/universe amd64 libtbbmalloc2 amd64 2021.11.0-2ubuntu2 [60.5 kB] Get:585 http://ftpmaster.internal/ubuntu noble/universe amd64 libtbbbind-2-5 amd64 2021.11.0-2ubuntu2 [16.4 kB] Get:586 http://ftpmaster.internal/ubuntu noble/universe amd64 libtbb12 amd64 2021.11.0-2ubuntu2 [106 kB] Get:587 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtcl8.6 amd64 8.6.14+dfsg-1 [988 kB] Get:588 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtheora-dev amd64 1.1.1+dfsg.1-16.1build1 [189 kB] Get:589 http://ftpmaster.internal/ubuntu noble/main amd64 libjbig-dev amd64 2.1-6.1ubuntu1 [27.8 kB] Get:590 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 liblzma-dev amd64 5.6.0-0.2 [176 kB] Get:591 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libwebpdemux2 amd64 1.3.2-0.4build1 [12.4 kB] Get:592 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libwebpdecoder3 amd64 1.3.2-0.4build1 [114 kB] Get:593 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libwebp-dev amd64 1.3.2-0.4build1 [367 kB] Get:594 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtiffxx6 amd64 4.5.1+git230720-4ubuntu1 [5640 B] Get:595 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtiff-dev amd64 4.5.1+git230720-4ubuntu1 [338 kB] Get:596 http://ftpmaster.internal/ubuntu noble/main amd64 libxss1 amd64 1:1.2.3-1build2 [8476 B] Get:597 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libtk8.6 amd64 8.6.14-1 [779 kB] Get:598 http://ftpmaster.internal/ubuntu noble/universe amd64 liburiparser-dev amd64 0.9.7+dfsg-2 [15.1 kB] Get:599 http://ftpmaster.internal/ubuntu noble/universe amd64 libutfcpp-dev all 3.2.5+really3.2.4-1 [12.1 kB] Get:600 http://ftpmaster.internal/ubuntu noble/universe amd64 libvoro++1 amd64 0.5+revert-to-0.4.6+dfsg1-1 [119 kB] Get:601 http://ftpmaster.internal/ubuntu noble/universe amd64 libdouble-conversion-dev amd64 3.3.0-1 [60.3 kB] Get:602 http://ftpmaster.internal/ubuntu noble/main amd64 pkg-config amd64 1.8.1-2 [7170 B] Get:603 http://ftpmaster.internal/ubuntu noble/universe amd64 libeigen3-dev all 3.4.0-4 [1056 kB] Get:604 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libfreexl-dev amd64 2.0.0-1build1 [43.7 kB] Get:605 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libproj-dev amd64 9.4.0-1 [75.9 kB] Get:606 http://ftpmaster.internal/ubuntu noble/universe amd64 libgeotiff-dev amd64 1.7.1-5 [88.9 kB] Get:607 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf4-alt-dev amd64 4.2.16-4 [387 kB] Get:608 http://ftpmaster.internal/ubuntu noble/main amd64 libjson-c-dev amd64 0.17-1 [63.6 kB] Get:609 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libkml-dev amd64 1.3.0-12 [659 kB] Get:610 http://ftpmaster.internal/ubuntu noble/main amd64 liblz4-dev amd64 1.9.4-1 [87.6 kB] Get:611 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libopenjp2-7-dev amd64 2.5.0-2build1 [258 kB] Get:612 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libspatialite-dev amd64 5.1.0-3 [2328 kB] Get:613 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libxerces-c-dev amd64 3.2.4+debian-1.2 [1815 kB] Get:614 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 unixodbc-dev amd64 2.3.12-1build1 [250 kB] Get:615 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libgdal-dev amd64 3.8.4+dfsg-3ubuntu1 [211 kB] Get:616 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 openmpi-common all 4.1.6-6ubuntu1 [170 kB] Get:617 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libibverbs-dev amd64 50.0-2build1 [678 kB] Get:618 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 openmpi-bin amd64 4.1.6-6ubuntu1 [114 kB] Get:619 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libopenmpi-dev amd64 4.1.6-6ubuntu1 [865 kB] Get:620 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-openmpi-dev amd64 1.10.10+repack-3.1ubuntu2 [2850 kB] Get:621 http://ftpmaster.internal/ubuntu noble/universe amd64 mpi-default-dev amd64 1.15 [3118 B] Get:622 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libhdf5-mpi-dev amd64 1.10.10+repack-3.1ubuntu2 [4616 B] Get:623 http://ftpmaster.internal/ubuntu noble/main amd64 libjsoncpp-dev amd64 1.9.5-6 [23.0 kB] Get:624 http://ftpmaster.internal/ubuntu noble/universe amd64 libtbb-dev amd64 2021.11.0-2ubuntu2 [253 kB] Get:625 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libvtk9.1t64 amd64 9.1.0+really9.1.0+dfsg2-7.1build2 [20.3 MB] Get:626 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libvtk9.1t64-qt amd64 9.1.0+really9.1.0+dfsg2-7.1build2 [172 kB] Get:627 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libvtk9-java amd64 9.1.0+really9.1.0+dfsg2-7.1build2 [6369 kB] Get:628 http://ftpmaster.internal/ubuntu noble/main amd64 libxrender-dev amd64 1:0.9.10-1.1 [26.5 kB] Get:629 http://ftpmaster.internal/ubuntu noble/main amd64 libxft-dev amd64 2.3.6-1 [64.5 kB] Get:630 http://ftpmaster.internal/ubuntu noble/main amd64 libxss-dev amd64 1:1.2.3-1build2 [12.3 kB] Get:631 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 libxt-dev amd64 1:1.2.1-1.2 [394 kB] Get:632 http://ftpmaster.internal/ubuntu noble/universe amd64 mpi-default-bin amd64 1.15 [2336 B] Get:633 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 python3-mpi4py amd64 3.1.5-5ubuntu1 [466 kB] Get:634 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 python3-vtk9 amd64 9.1.0+really9.1.0+dfsg2-7.1build2 [7296 kB] Get:635 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 tcl8.6 amd64 8.6.14+dfsg-1 [14.7 kB] Get:636 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 tcl8.6-dev amd64 8.6.14+dfsg-1 [1000 kB] Get:637 http://ftpmaster.internal/ubuntu noble/main amd64 tcl amd64 8.6.13 [3992 B] Get:638 http://ftpmaster.internal/ubuntu noble/main amd64 tcl-dev amd64 8.6.13 [5768 B] Get:639 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 tk8.6 amd64 8.6.14-1 [12.5 kB] Get:640 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 tk8.6-dev amd64 8.6.14-1 [788 kB] Get:641 http://ftpmaster.internal/ubuntu noble/main amd64 tk amd64 8.6.13 [3058 B] Get:642 http://ftpmaster.internal/ubuntu noble/main amd64 tk-dev amd64 8.6.13 [2900 B] Get:643 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 vtk9 amd64 9.1.0+really9.1.0+dfsg2-7.1build2 [16.2 kB] Get:644 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libvtk9-dev amd64 9.1.0+really9.1.0+dfsg2-7.1build2 [2765 kB] Get:645 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qdoc-qt5 amd64 5.15.12-2build2 [635 kB] Get:646 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qhelpgenerator-qt5 amd64 5.15.12-2build2 [59.7 kB] Get:647 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qt5-assistant amd64 5.15.12-2build2 [363 kB] Get:648 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qtattributionsscanner-qt5 amd64 5.15.12-2build2 [34.4 kB] Get:649 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qttools5-dev-tools amd64 5.15.12-2build2 [1115 kB] Get:650 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qttools5-dev amd64 5.15.12-2build2 [204 kB] Get:651 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 qttools5-private-dev amd64 5.15.12-2build2 [71.7 kB] Get:652 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 libvtk9-qt-dev amd64 9.1.0+really9.1.0+dfsg2-7.1build2 [28.6 kB] Get:653 http://ftpmaster.internal/ubuntu noble/universe amd64 preview-latex-style all 13.2-1 [347 kB] Get:654 http://ftpmaster.internal/ubuntu noble/main amd64 python3-more-itertools all 10.2.0-1 [52.9 kB] Get:655 http://ftpmaster.internal/ubuntu noble/main amd64 python3-zipp all 1.0.0-6 [6090 B] Get:656 http://ftpmaster.internal/ubuntu noble/main amd64 python3-importlib-metadata all 4.12.0-1 [17.8 kB] Get:657 http://ftpmaster.internal/ubuntu noble/main amd64 python3-packaging all 23.2-1 [40.6 kB] Get:658 http://ftpmaster.internal/ubuntu noble/universe amd64 python3-pyproject-hooks all 1.0.0-2 [9434 B] Get:659 http://ftpmaster.internal/ubuntu noble/universe amd64 python3-toml all 0.10.2-1 [16.5 kB] Get:660 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 python3-wheel all 0.42.0-2 [53.1 kB] Get:661 http://ftpmaster.internal/ubuntu noble/universe amd64 python3-build all 1.0.3-2 [27.3 kB] Get:662 http://ftpmaster.internal/ubuntu noble/universe amd64 python3-installer all 0.7.0+dfsg1-2 [18.1 kB] Get:663 http://ftpmaster.internal/ubuntu noble/universe amd64 pybuild-plugin-pyproject all 6.20231223ubuntu2 [1738 B] Get:664 http://ftpmaster.internal/ubuntu noble/main amd64 python-babel-localedata all 2.10.3-3build1 [6357 kB] Get:665 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 python3-all amd64 3.12.2-0ubuntu1 [886 B] Get:666 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 python3.12-dev amd64 3.12.2-4build2 [498 kB] Get:667 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 python3-dev amd64 3.12.2-0ubuntu1 [26.7 kB] Get:668 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 python3-all-dev amd64 3.12.2-0ubuntu1 [910 B] Get:669 http://ftpmaster.internal/ubuntu noble/main amd64 python3-tz all 2024.1-2 [31.4 kB] Get:670 http://ftpmaster.internal/ubuntu noble/main amd64 python3-babel all 2.10.3-3build1 [87.5 kB] Get:671 http://ftpmaster.internal/ubuntu noble/main amd64 python3-roman all 3.3-3 [9632 B] Get:672 http://ftpmaster.internal/ubuntu noble/main amd64 python3-docutils all 0.20.1+dfsg-3 [393 kB] Get:673 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 sphinx-common all 7.2.6-5 [741 kB] Get:674 http://ftpmaster.internal/ubuntu noble/main amd64 python3-alabaster all 0.7.12-1 [17.8 kB] Get:675 http://ftpmaster.internal/ubuntu noble/main amd64 python3-imagesize all 1.4.1-1 [6844 B] Get:676 http://ftpmaster.internal/ubuntu noble/main amd64 python3-markupsafe amd64 2.1.5-1 [13.5 kB] Get:677 http://ftpmaster.internal/ubuntu noble/main amd64 python3-jinja2 all 3.1.2-1ubuntu1 [107 kB] Get:678 http://ftpmaster.internal/ubuntu noble/main amd64 python3-certifi all 2023.11.17-1 [165 kB] Get:679 http://ftpmaster.internal/ubuntu noble/main amd64 python3-chardet all 5.2.0+dfsg-1 [117 kB] Get:680 http://ftpmaster.internal/ubuntu noble/main amd64 python3-idna all 3.6-2 [46.0 kB] Get:681 http://ftpmaster.internal/ubuntu noble/main amd64 python3-urllib3 all 2.0.7-1 [113 kB] Get:682 http://ftpmaster.internal/ubuntu noble/main amd64 python3-requests all 2.31.0+dfsg-1ubuntu1 [50.7 kB] Get:683 http://ftpmaster.internal/ubuntu noble/main amd64 python3-snowballstemmer all 2.2.0-4 [59.7 kB] Get:684 http://ftpmaster.internal/ubuntu noble-proposed/main amd64 python3-sphinx all 7.2.6-5 [557 kB] Get:685 http://ftpmaster.internal/ubuntu noble/universe amd64 python3-breathe all 4.35.0-3 [70.9 kB] Get:686 http://ftpmaster.internal/ubuntu noble/universe amd64 python3-enchant all 3.2.2-1 [34.0 kB] Get:687 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 python3-pip-whl all 24.0+dfsg-1ubuntu1 [1702 kB] Get:688 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 python3-setuptools-whl all 68.1.2-2ubuntu1 [715 kB] Get:689 http://ftpmaster.internal/ubuntu noble/universe amd64 python3-sphinx-tabs all 3.4.4-1 [11.7 kB] Get:690 http://ftpmaster.internal/ubuntu noble/universe amd64 python3-sphinxcontrib.jquery all 4.1-5 [6678 B] Get:691 http://ftpmaster.internal/ubuntu noble/universe amd64 python3-sphinxcontrib.spelling all 7.7.0-1 [12.9 kB] Get:692 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 python3.12-venv amd64 3.12.2-4build2 [5674 B] Get:693 http://ftpmaster.internal/ubuntu noble-proposed/universe amd64 python3-venv amd64 3.12.2-0ubuntu1 [1034 B] Get:694 http://ftpmaster.internal/ubuntu noble/main amd64 sphinx-rtd-theme-common all 2.0.0+dfsg-1 [1012 kB] Get:695 http://ftpmaster.internal/ubuntu noble/main amd64 xfonts-encodings all 1:1.0.5-0ubuntu2 [578 kB] Get:696 http://ftpmaster.internal/ubuntu noble/main amd64 xfonts-utils amd64 1:7.7+6build2 [94.6 kB] Get:697 http://ftpmaster.internal/ubuntu noble/universe amd64 tex-gyre all 20180621-6 [6396 kB] Get:698 http://ftpmaster.internal/ubuntu noble/universe amd64 texlive-fonts-recommended all 2023.20240207-1 [4973 kB] Get:699 http://ftpmaster.internal/ubuntu noble/universe amd64 libfontbox-java all 1:1.8.16-5 [208 kB] Get:700 http://ftpmaster.internal/ubuntu noble/universe amd64 libpdfbox-java all 1:1.8.16-5 [5521 kB] Get:701 http://ftpmaster.internal/ubuntu noble/universe amd64 texlive-latex-recommended all 2023.20240207-1 [8826 kB] Get:702 http://ftpmaster.internal/ubuntu noble/universe amd64 texlive-pictures all 2023.20240207-1 [16.7 MB] Get:703 http://ftpmaster.internal/ubuntu noble/universe amd64 texlive-latex-extra all 2023.20240207-1 [19.2 MB] Get:704 http://ftpmaster.internal/ubuntu noble/universe amd64 voro++-dev amd64 0.5+revert-to-0.4.6+dfsg1-1 [146 kB] Get:705 http://ftpmaster.internal/ubuntu noble/main amd64 libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] Get:706 http://ftpmaster.internal/ubuntu noble/universe amd64 opencl-c-headers all 3.0~2023.12.14-1 [58.7 kB] Get:707 http://ftpmaster.internal/ubuntu noble/universe amd64 opencl-clhpp-headers all 3.0~2023.12.14-1ubuntu1 [50.5 kB] Get:708 http://ftpmaster.internal/ubuntu noble/universe amd64 ocl-icd-opencl-dev amd64 2.3.2-1 [2438 B] Preconfiguring packages ... Fetched 744 MB in 33s (22.6 MB/s) dpkg: libhogweed6:amd64: dependency problems, but removing anyway as you requested: libgnutls30:amd64 depends on libhogweed6 (>= 3.6). (Reading database ... 15759 files and directories currently installed.) Removing libhogweed6:amd64 (3.9.1-2) ... Selecting previously unselected package libhogweed6t64:amd64. (Reading database ... 15754 files and directories currently installed.) Preparing to unpack .../libhogweed6t64_3.9.1-2.2_amd64.deb ... Unpacking libhogweed6t64:amd64 (3.9.1-2.2) ... dpkg: libgnutls30:amd64: dependency problems, but removing anyway as you requested: apt depends on libgnutls30 (>= 3.7.5). (Reading database ... 15760 files and directories currently installed.) Removing libgnutls30:amd64 (3.8.3-1ubuntu1) ... Selecting previously unselected package libgnutls30t64:amd64. (Reading database ... 15751 files and directories currently installed.) Preparing to unpack .../libgnutls30t64_3.8.3-1.1ubuntu2_amd64.deb ... Unpacking libgnutls30t64:amd64 (3.8.3-1.1ubuntu2) ... Setting up libhogweed6t64:amd64 (3.9.1-2.2) ... Setting up libgnutls30t64:amd64 (3.8.3-1.1ubuntu2) ... dpkg: libpng16-16:amd64: dependency problems, but removing anyway as you requested: optipng depends on libpng16-16 (>= 1.6.2-1). (Reading database ... 15782 files and directories currently installed.) Removing libpng16-16:amd64 (1.6.43-1) ... Selecting previously unselected package libpng16-16t64:amd64. (Reading database ... 15772 files and directories currently installed.) Preparing to unpack .../libpng16-16t64_1.6.43-3_amd64.deb ... Unpacking libpng16-16t64:amd64 (1.6.43-3) ... Selecting previously unselected package libpython3.12-minimal:amd64. Preparing to unpack .../libpython3.12-minimal_3.12.2-4build2_amd64.deb ... Unpacking libpython3.12-minimal:amd64 (3.12.2-4build2) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.6.1-2_amd64.deb ... Unpacking libexpat1:amd64 (2.6.1-2) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.2-4build2_amd64.deb ... Unpacking python3.12-minimal (3.12.2-4build2) ... Setting up libpython3.12-minimal:amd64 (3.12.2-4build2) ... Setting up libexpat1:amd64 (2.6.1-2) ... Setting up python3.12-minimal (3.12.2-4build2) ... Selecting previously unselected package python3-minimal. (Reading database ... 16101 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.12.2-0ubuntu1_amd64.deb ... Unpacking python3-minimal (3.12.2-0ubuntu1) ... Selecting previously unselected package media-types. Preparing to unpack .../1-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../2-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package libpython3.12-stdlib:amd64. Preparing to unpack .../3-libpython3.12-stdlib_3.12.2-4build2_amd64.deb ... Unpacking libpython3.12-stdlib:amd64 (3.12.2-4build2) ... Selecting previously unselected package python3.12. Preparing to unpack .../4-python3.12_3.12.2-4build2_amd64.deb ... Unpacking python3.12 (3.12.2-4build2) ... Selecting previously unselected package libpython3-stdlib:amd64. Preparing to unpack .../5-libpython3-stdlib_3.12.2-0ubuntu1_amd64.deb ... Unpacking libpython3-stdlib:amd64 (3.12.2-0ubuntu1) ... Setting up python3-minimal (3.12.2-0ubuntu1) ... Selecting previously unselected package python3. (Reading database ... 16541 files and directories currently installed.) Preparing to unpack .../000-python3_3.12.2-0ubuntu1_amd64.deb ... Unpacking python3 (3.12.2-0ubuntu1) ... Selecting previously unselected package fonts-lato. Preparing to unpack .../001-fonts-lato_2.015-1_all.deb ... Unpacking fonts-lato (2.015-1) ... Selecting previously unselected package libglib2.0-0t64:amd64. Preparing to unpack .../002-libglib2.0-0t64_2.79.3-3ubuntu5_amd64.deb ... Unpacking libglib2.0-0t64:amd64 (2.79.3-3ubuntu5) ... Selecting previously unselected package libdrm-common. Preparing to unpack .../003-libdrm-common_2.4.120-2_all.deb ... Unpacking libdrm-common (2.4.120-2) ... Selecting previously unselected package libdrm2:amd64. Preparing to unpack .../004-libdrm2_2.4.120-2_amd64.deb ... Unpacking libdrm2:amd64 (2.4.120-2) ... Selecting previously unselected package libelf1t64:amd64. Preparing to unpack .../005-libelf1t64_0.190-1.1build1_amd64.deb ... Unpacking libelf1t64:amd64 (0.190-1.1build1) ... Selecting previously unselected package libdw1t64:amd64. Preparing to unpack .../006-libdw1t64_0.190-1.1build1_amd64.deb ... Unpacking libdw1t64:amd64 (0.190-1.1build1) ... Selecting previously unselected package libunwind8:amd64. Preparing to unpack .../007-libunwind8_1.6.2-3_amd64.deb ... Unpacking libunwind8:amd64 (1.6.2-3) ... Selecting previously unselected package libcap2-bin. Preparing to unpack .../008-libcap2-bin_1%3a2.66-5ubuntu1_amd64.deb ... Unpacking libcap2-bin (1:2.66-5ubuntu1) ... Selecting previously unselected package libgstreamer1.0-0:amd64. Preparing to unpack .../009-libgstreamer1.0-0_1.24.0-1_amd64.deb ... Unpacking libgstreamer1.0-0:amd64 (1.24.0-1) ... Selecting previously unselected package liborc-0.4-0t64:amd64. Preparing to unpack .../010-liborc-0.4-0t64_1%3a0.4.38-1_amd64.deb ... Unpacking liborc-0.4-0t64:amd64 (1:0.4.38-1) ... Selecting previously unselected package iso-codes. Preparing to unpack .../011-iso-codes_4.16.0-1_all.deb ... Unpacking iso-codes (4.16.0-1) ... Selecting previously unselected package libgstreamer-plugins-base1.0-0:amd64. Preparing to unpack .../012-libgstreamer-plugins-base1.0-0_1.24.0-1_amd64.deb ... Unpacking libgstreamer-plugins-base1.0-0:amd64 (1.24.0-1) ... Selecting previously unselected package libhyphen0:amd64. Preparing to unpack .../013-libhyphen0_2.8.8-7build2_amd64.deb ... Unpacking libhyphen0:amd64 (2.8.8-7build2) ... Selecting previously unselected package libicu74:amd64. Preparing to unpack .../014-libicu74_74.2-1ubuntu1_amd64.deb ... Unpacking libicu74:amd64 (74.2-1ubuntu1) ... Selecting previously unselected package libjpeg-turbo8:amd64. Preparing to unpack .../015-libjpeg-turbo8_2.1.5-2ubuntu1_amd64.deb ... Unpacking libjpeg-turbo8:amd64 (2.1.5-2ubuntu1) ... Selecting previously unselected package libjpeg8:amd64. Preparing to unpack .../016-libjpeg8_8c-2ubuntu11_amd64.deb ... Unpacking libjpeg8:amd64 (8c-2ubuntu11) ... Selecting previously unselected package libxml2:amd64. Preparing to unpack .../017-libxml2_2.9.14+dfsg-1.3ubuntu1_amd64.deb ... Unpacking libxml2:amd64 (2.9.14+dfsg-1.3ubuntu1) ... Selecting previously unselected package shared-mime-info. Preparing to unpack .../018-shared-mime-info_2.4-1build1_amd64.deb ... Unpacking shared-mime-info (2.4-1build1) ... Selecting previously unselected package libdouble-conversion3:amd64. 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Skipping Java certificates setup. Setting up libhunspell-1.7-0:amd64 (1.7.2+really1.7.2-10build1) ... Setting up libfido2-1:amd64 (1.14.0-1build1) ... Setting up libde265-0:amd64 (1.0.15-1build1) ... Setting up libsharpyuv-dev:amd64 (1.3.2-0.4build1) ... Setting up libkmlbase1t64:amd64 (1.3.0-12) ... Setting up libgfortran-13-dev:amd64 (13.2.0-19ubuntu1) ... Setting up libvoro++1 (0.5+revert-to-0.4.6+dfsg1-1) ... Setting up libwebpmux3:amd64 (1.3.2-0.4build1) ... Setting up libbsd0:amd64 (0.12.1-1) ... Setting up libdeflate-dev:amd64 (1.19-1) ... Setting up libdrm-common (2.4.120-2) ... Setting up libevdev2:amd64 (1.13.1+dfsg-1) ... Setting up libogdi-dev (4.1.1+ds-3) ... Setting up libxml2:amd64 (2.9.14+dfsg-1.3ubuntu1) ... Setting up fonts-font-awesome (5.0.10+really4.7.0~dfsg-4.1) ... Setting up sphinx-rtd-theme-common (2.0.0+dfsg-1) ... Setting up xdg-utils (1.1.3-4.1ubuntu3) ... update-alternatives: using /usr/bin/xdg-open to provide /usr/bin/open (open) in auto mode Setting up libldap2:amd64 (2.6.7+dfsg-1~exp1ubuntu6) ... Setting up iso-codes (4.16.0-1) ... Setting up libbrotli-dev:amd64 (1.1.0-2) ... Setting up libgudev-1.0-0:amd64 (1:238-3ubuntu2) ... Setting up libzvbi-common (0.2.42-1.2) ... Setting up qtchooser (66-2build1) ... Setting up libgstreamer1.0-0:amd64 (1.24.0-1) ... Setcap worked! gst-ptp-helper is not suid! Setting up libmp3lame0:amd64 (3.100-6) ... Setting up libblas-dev:amd64 (3.12.0-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/blas/libblas.so to provide /usr/lib/x86_64-linux-gnu/libblas.so (libblas.so-x86_64-linux-gnu) in auto mode Setting up libsz2:amd64 (1.1.2-1) ... Setting up libmysqlclient-dev (8.0.36-2ubuntu1) ... Setting up libvorbisenc2:amd64 (1.3.7-1build2) ... Setting up libsynctex2:amd64 (2023.20230311.66589-9build1) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up libodbccr2:amd64 (2.3.12-1build1) ... Setting up libevent-pthreads-2.1-7:amd64 (2.1.12-stable-9build1) ... Setting up gdal-plugins:amd64 (3.8.4+dfsg-3ubuntu1) ... Setting up libwacom-common (2.10.0-1build1) ... Setting up libbz2-dev:amd64 (1.0.8-5ubuntu1) ... Setting up libxkbcommon0:amd64 (1.6.0-1) ... Setting up libpotrace0:amd64 (1.16-2) ... Setting up libwayland-client0:amd64 (1.22.0-2.1) ... Setting up libjpeg8:amd64 (8c-2ubuntu11) ... Setting up automake (1:1.16.5-1.3ubuntu1) ... update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode Setting up default-libmysqlclient-dev:amd64 (1.1.0) ... Setting up x11proto-dev (2023.2-1) ... Setting up libfile-stripnondeterminism-perl (1.13.1-1) ... Setting up libpaper1:amd64 (1.1.29) ... Creating config file /etc/papersize with new version Setting up librttopo-dev:amd64 (1.1.0-3build1) ... Setting up libice6:amd64 (2:1.0.10-1build2) ... Setting up libjsoncpp-dev:amd64 (1.9.5-6) ... Setting up libodbcinst2:amd64 (2.3.12-1build1) ... Setting up libjpeg-turbo8-dev:amd64 (2.1.5-2ubuntu1) ... Setting up libxdmcp6:amd64 (1:1.1.3-0ubuntu5) ... Setting up libevent-extra-2.1-7:amd64 (2.1.12-stable-9build1) ... Setting up tcl8.6 (8.6.14+dfsg-1) ... Setting up liblapack3:amd64 (3.12.0-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/x86_64-linux-gnu/liblapack.so.3 (liblapack.so.3-x86_64-linux-gnu) in auto mode Setting up libkmlxsd1t64:amd64 (1.3.0-12) ... Setting up libxcb1:amd64 (1.15-1) ... Setting up gettext (0.21-14ubuntu1) ... Setting up libarpack2t64:amd64 (3.9.1-1.1build1) ... Setting up libxcb-xfixes0:amd64 (1.15-1) ... Setting up libatk1.0-0t64:amd64 (2.51.90-3) ... Setting up libzmq5:amd64 (4.3.5-1build1) ... Setting up libpdfbox-java (1:1.8.16-5) ... Setting up libxau-dev:amd64 (1:1.0.9-1build5) ... Setting up libpython3.12-stdlib:amd64 (3.12.2-4build2) ... Setting up libsymspg-dev:amd64 (2.3.1-1ubuntu1) ... Setting up qt5-qmake:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up libpcre2-dev:amd64 (10.42-4ubuntu1) ... Setting up libzvbi0t64:amd64 (0.2.42-1.2) ... Setting up libxcb-xinput0:amd64 (1.15-1) ... Setting up libwoff1:amd64 (1.0.2-2) ... Setting up libcurl4t64:amd64 (8.5.0-2ubuntu7) ... Setting up libice-dev:amd64 (2:1.0.10-1build2) ... Setting up dictionaries-common (1.29.7) ... Setting up voro++-dev (0.5+revert-to-0.4.6+dfsg1-1) ... Setting up libtool (2.4.7-7) ... Setting up libblosc-dev:amd64 (1.21.5+ds-1) ... Setting up libxcb-render0:amd64 (1.15-1) ... Setting up libfftw3-bin (3.3.10-1ubuntu2) ... Setting up libwacom9:amd64 (2.10.0-1build1) ... Setting up fontconfig-config (2.15.0-1.1ubuntu1) ... Setting up libfyba-dev:amd64 (4.1.1-11) ... Setting up libxcb-glx0:amd64 (1.15-1) ... Setting up libwebpdemux2:amd64 (1.3.2-0.4build1) ... Setting up tcl8.6-dev:amd64 (8.6.14+dfsg-1) ... Setting up python3.12 (3.12.2-4build2) ... Setting up libedit2:amd64 (3.1-20230828-1) ... Setting up libpng-dev:amd64 (1.6.43-3) ... Setting up libcommons-parent-java (56-1) ... Setting up libxcb-keysyms1:amd64 (0.4.0-1build3) ... Setting up libaec-dev:amd64 (1.1.2-1) ... Setting up libxcb-shape0:amd64 (1.15-1) ... Setting up libavahi-common3:amd64 (0.8-13ubuntu4) ... Setting up libpq5:amd64 (16.2-1ubuntu2) ... Setting up libjbig-dev:amd64 (2.1-6.1ubuntu1) ... Setting up libcommons-logging-java (1.3.0-1ubuntu1) ... Setting up libevent-openssl-2.1-7:amd64 (2.1.12-stable-9build1) ... Setting up libxcb-render-util0:amd64 (0.3.9-1build3) ... Setting up libpq-dev (16.2-1ubuntu2) ... Setting up libcurl3-gnutls:amd64 (8.5.0-2ubuntu2) ... Setting up libnss3:amd64 (2:3.98-1) ... Setting up libxcb-shm0:amd64 (1.15-1) ... Setting up libxcb-icccm4:amd64 (0.4.1-1.1build2) ... Setting up libpaper-utils (1.1.29) ... Setting up libsuperlu6:amd64 (6.0.1+dfsg1-1) ... Setting up libxerces-c3.2t64:amd64 (3.2.4+debian-1.2) ... Setting up gfortran-13-x86-64-linux-gnu (13.2.0-19ubuntu1) ... Setting up libxcb-util1:amd64 (0.4.0-1build2) ... Setting up pkgconf:amd64 (1.8.1-2) ... Setting up libinput-bin (1.25.0-1build1) ... Setting up libxcb-xkb1:amd64 (1.15-1) ... Setting up libxcb-image0:amd64 (0.4.0-2) ... Setting up libtbbbind-2-5:amd64 (2021.11.0-2ubuntu2) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up liburiparser-dev (0.9.7+dfsg-2) ... Setting up libnuma-dev:amd64 (2.0.18-1) ... Setting up libnl-route-3-200:amd64 (3.7.0-0.3) ... Setting up librist4:amd64 (0.2.10+dfsg-1) ... Setting up libxcb-present0:amd64 (1.15-1) ... Setting up libkmldom1t64:amd64 (1.3.0-12) ... Setting up libpython3.12t64:amd64 (3.12.2-4build2) ... Setting up dh-autoreconf (20) ... Setting up libminizip-dev:amd64 (1:1.3.dfsg-3.1ubuntu1) ... Setting up tex-common (6.18) ... update-language: texlive-base not installed and configured, doing nothing! Setting up libltdl-dev:amd64 (2.4.7-7) ... Setting up libthai0:amd64 (0.1.29-2) ... Setting up libvorbisfile3:amd64 (1.3.7-1build2) ... Setting up libxdmcp-dev:amd64 (1:1.1.3-0ubuntu5) ... Setting up libwebp-dev:amd64 (1.3.2-0.4build1) ... Setting up libxcb-xinerama0:amd64 (1.15-1) ... Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libcfitsio10t64:amd64 (4.3.1-1.1) ... Setting up libptexenc1:amd64 (2023.20230311.66589-9build1) ... Setting up libllvm17t64:amd64 (1:17.0.6-9) ... Setting up libfreetype6:amd64 (2.13.2+dfsg-1build1) ... Setting up libde265-dev:amd64 (1.0.15-1build1) ... Setting up libopenjp2-7-dev:amd64 (2.5.0-2build1) ... Setting up libcurl4-openssl-dev:amd64 (8.5.0-2ubuntu7) ... Setting up libxcb-sync1:amd64 (1.15-1) ... Setting up gfortran-13 (13.2.0-19ubuntu1) ... Setting up libdav1d-dev:amd64 (1.4.0-1) ... Setting up shared-mime-info (2.4-1build1) ... Setting up opencl-clhpp-headers (3.0~2023.12.14-1ubuntu1) ... Setting up libxkbcommon-x11-0:amd64 (1.6.0-1) ... Setting up libevent-dev (2.1.12-stable-9build1) ... Setting up liblapack-dev:amd64 (3.12.0-3) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/lapack/liblapack.so to provide /usr/lib/x86_64-linux-gnu/liblapack.so (liblapack.so-x86_64-linux-gnu) in auto mode Setting up libeigen3-dev (3.4.0-4) ... Setting up icu-devtools (74.2-1ubuntu1) ... Setting up pkg-config:amd64 (1.8.1-2) ... Setting up git (1:2.43.0-1ubuntu1) ... Setting up libjs-sphinxdoc (7.2.6-5) ... Setting up ocl-icd-opencl-dev:amd64 (2.3.2-1) ... Setting up libhdf4-0-alt:amd64 (4.2.16-4) ... Setting up libx265-199:amd64 (3.5-2) ... Setting up libxcb-dri2-0:amd64 (1.15-1) ... Setting up dh-strip-nondeterminism (1.13.1-1) ... Setting up libgvpr2:amd64 (2.42.2-8build4) ... Setting up libdrm2:amd64 (2.4.120-2) ... Setting up libnl-3-dev:amd64 (3.7.0-0.3) ... Setting up libfreexl1:amd64 (2.0.0-1build1) ... Setting up libva-drm2:amd64 (2.20.0-2) ... Setting up groff-base (1.23.0-3build1) ... Setting up libtiff6:amd64 (4.5.1+git230720-4ubuntu1) ... Setting up libxcb-randr0:amd64 (1.15-1) ... Setting up xml-core (0.19) ... Setting up tcl (8.6.13) ... Setting up libxslt1.1:amd64 (1.1.39-0exp1) ... Setting up hunspell-en-us (1:2020.12.07-2) ... Setting up libx11-6:amd64 (2:1.8.7-1) ... Setting up libharfbuzz0b:amd64 (8.3.0-2build1) ... Setting up libgdk-pixbuf-2.0-0:amd64 (2.42.10+dfsg-3ubuntu1) ... Setting up libhwloc-dev:amd64 (2.10.0-1) ... Setting up libamd-comgr2:amd64 (6.0+git20231212.4510c28+dfsg-3build1) ... Setting up libfontconfig1:amd64 (2.15.0-1.1ubuntu1) ... Setting up libjpeg8-dev:amd64 (8c-2ubuntu11) ... Setting up libhdf5-103-1t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up libbluray2:amd64 (1:1.3.4-1) ... Setting up libsuperlu-dev:amd64 (6.0.1+dfsg1-1) ... Setting up libtiffxx6:amd64 (4.5.1+git230720-4ubuntu1) ... Setting up libxcomposite1:amd64 (1:0.4.5-1build2) ... Setting up libsm6:amd64 (2:1.2.3-1build2) ... Setting up libarchive13t64:amd64 (3.7.2-1.1ubuntu1) ... Setting up libfftw3-dev:amd64 (3.3.10-1ubuntu2) ... Setting up libicu-dev:amd64 (74.2-1ubuntu1) ... Setting up unixodbc-dev:amd64 (2.3.12-1build1) ... Setting up libopenmpt0t64:amd64 (0.7.3-1.1build1) ... Setting up libavahi-client3:amd64 (0.8-13ubuntu4) ... Setting up libarmadillo12 (1:12.6.7+dfsg-1build1) ... Setting up libpython3-stdlib:amd64 (3.12.2-0ubuntu1) ... Setting up libllvm18:amd64 (1:18.1.0-1ubuntu3) ... Setting up libdrm-amdgpu1:amd64 (2.4.120-2) ... Setting up libxcb-dri3-0:amd64 (1.15-1) ... Setting up libinput10:amd64 (1.25.0-1build1) ... Setting up gtk-update-icon-cache (3.24.41-1.1ubuntu1) ... Setting up libhdf5-hl-100t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up libclang1-18 (1:18.1.0-1ubuntu3) ... Setting up libx11-xcb1:amd64 (2:1.8.7-1) ... Setting up libibverbs1:amd64 (50.0-2build1) ... Setting up fontconfig (2.15.0-1.1ubuntu1) ... Regenerating fonts cache... done. Setting up libnetcdf19t64:amd64 (1:4.9.2-5ubuntu2) ... Setting up libdrm-nouveau2:amd64 (2.4.120-2) ... Setting up libarpack2-dev:amd64 (3.9.1-1.1build1) ... Setting up libcfitsio-dev:amd64 (4.3.1-1.1) ... Setting up libxdamage1:amd64 (1:1.1.6-1) ... Setting up libxcb1-dev:amd64 (1.15-1) ... Setting up libxpm4:amd64 (1:3.5.17-1build1) ... Setting up openjdk-21-jre-headless:amd64 (21.0.3~6ea-1) ... update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/java to provide /usr/bin/java (java) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jpackage to provide /usr/bin/jpackage (jpackage) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/keytool to provide /usr/bin/keytool (keytool) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/rmiregistry to provide /usr/bin/rmiregistry (rmiregistry) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/lib/jexec to provide /usr/bin/jexec (jexec) in auto mode Setting up libllvm15t64:amd64 (1:15.0.7-14) ... Setting up libxrender1:amd64 (1:0.9.10-1.1) ... Setting up libproj25:amd64 (9.4.0-1) ... Setting up libgbm1:amd64 (24.0.2-1ubuntu8) ... Setting up ibverbs-providers:amd64 (50.0-2build1) ... Setting up python3.12-venv (3.12.2-4build2) ... Setting up libpoppler134:amd64 (24.02.0-1ubuntu6) ... Setting up libenchant-2-2:amd64 (2.3.3-2build1) ... Setting up libsm-dev:amd64 (2:1.2.3-1build2) ... Setting up libdrm-radeon1:amd64 (2.4.120-2) ... Setting up openssh-client (1:9.6p1-3ubuntu8) ... Setting up libfreexl-dev:amd64 (2.0.0-1build1) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up preview-latex-style (13.2-1) ... Setting up libpango-1.0-0:amd64 (1.52.1+ds-1) ... Setting up libhdf5-cpp-103-1t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up libdrm-intel1:amd64 (2.4.120-2) ... Setting up libgl1-mesa-dri:amd64 (24.0.2-1ubuntu8) ... Setting up libjpeg-dev:amd64 (8c-2ubuntu11) ... Setting up libx11-dev:amd64 (2:1.8.7-1) ... Setting up libxext6:amd64 (2:1.3.4-1build1) ... Setting up libhdf5-fortran-102t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up libgstreamer-plugins-base1.0-0:amd64 (1.24.0-1) ... Setting up python3 (3.12.2-0ubuntu1) ... Setting up libpython3.12-dev:amd64 (3.12.2-4build2) ... Setting up libtbb12:amd64 (2021.11.0-2ubuntu2) ... Setting up libkmlengine1t64:amd64 (1.3.0-12) ... Setting up libkim-api2:amd64 (2.3.0-1) ... Setting up xfonts-utils (1:7.7+6build2) ... Setting up man-db (2.12.0-3build4) ... Not building database; man-db/auto-update is not 'true'. Created symlink /etc/systemd/system/timers.target.wants/man-db.timer → /usr/lib/systemd/system/man-db.timer. Setting up python3-markupsafe (2.1.5-1) ... Setting up libkim-api-dev (2.3.0-1) ... Setting up gfortran-x86-64-linux-gnu (4:13.2.0-7ubuntu1) ... Setting up python3-wheel (0.42.0-2) ... Setting up gfortran (4:13.2.0-7ubuntu1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/f95.1.gz because associated file /usr/share/man/man1/gfortran.1.gz (of link group f95) doesn't exist update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode update-alternatives: warning: skip creation of /usr/share/man/man1/f77.1.gz because associated file /usr/share/man/man1/gfortran.1.gz (of link group f77) doesn't exist Setting up libcairo2:amd64 (1.18.0-1ubuntu1) ... Setting up python3-tz (2024.1-2) ... Setting up libgeotiff5:amd64 (1.7.1-5) ... Setting up libxxf86vm1:amd64 (1:1.1.4-1build3) ... Setting up libfreetype-dev:amd64 (2.13.2+dfsg-1build1) ... Setting up libxnvctrl0:amd64 (510.47.03-0ubuntu1) ... Setting up libnl-route-3-dev:amd64 (3.7.0-0.3) ... Setting up python3-roman (3.3-3) ... Setting up libqt5core5t64:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up python3-jinja2 (3.1.2-1ubuntu1) ... Setting up libxml2-dev:amd64 (2.9.14+dfsg-1.3ubuntu1) ... Setting up libegl-mesa0:amd64 (24.0.2-1ubuntu8) ... Setting up python3-packaging (23.2-1) ... Setting up python3-venv (3.12.2-0ubuntu1) ... Setting up python3-pyproject-hooks (1.0.0-2) ... Setting up python3-enchant (3.2.2-1) ... Setting up python3-certifi (2023.11.17-1) ... Setting up libtiff-dev:amd64 (4.5.1+git230720-4ubuntu1) ... Setting up libxfixes3:amd64 (1:6.0.0-2) ... Setting up python3-snowballstemmer (2.2.0-4) ... Setting up libxerces-c-dev:amd64 (3.2.4+debian-1.2) ... Setting up sphinx-common (7.2.6-5) ... Setting up libx265-dev:amd64 (3.5-2) ... Setting up libxinerama1:amd64 (2:1.1.4-3) ... Setting up libxt6t64:amd64 (1:1.2.1-1.2) ... Setting up libgd3:amd64 (2.3.3-9ubuntu2) ... Setting up qtattributionsscanner-qt5 (5.15.12-2build2) ... Setting up libproj-dev:amd64 (9.4.0-1) ... Setting up python3-idna (3.6-2) ... Setting up libxrandr2:amd64 (2:1.5.2-2) ... Setting up python3.12-dev (3.12.2-4build2) ... Setting up libclang1-15t64 (1:15.0.7-14) ... Setting up python3-toml (0.10.2-1) ... Setting up python3-installer (0.7.0+dfsg1-2) ... Setting up tcl-dev:amd64 (8.6.13) ... Setting up python3-urllib3 (2.0.7-1) ... Setting up libxext-dev:amd64 (2:1.3.4-1build1) ... Setting up libcups2:amd64 (2.4.7-1ubuntu2) ... Setting up libvdpau1:amd64 (1.5-2) ... Setting up libtheora0:amd64 (1.1.1+dfsg.1-16.1build1) ... Setting up libegl1:amd64 (1.7.0-1) ... Setting up libqt5sql5t64:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up cmake (3.28.3-1build4) ... Setting up librdmacm1t64:amd64 (50.0-2build1) ... Setting up libcairo-gobject2:amd64 (1.18.0-1ubuntu1) ... Setting up libxss1:amd64 (1:1.2.3-1build2) ... Setting up libtbb-dev:amd64 (2021.11.0-2ubuntu2) ... Setting up libkmlconvenience1t64:amd64 (1.3.0-12) ... Setting up libpangoft2-1.0-0:amd64 (1.52.1+ds-1) ... Setting up python3-build (1.0.3-2) ... Setting up libhdf5-hl-cpp-100t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up libva-x11-2:amd64 (2.20.0-2) ... Setting up libclang-cpp18 (1:18.1.0-1ubuntu3) ... Setting up libxrender-dev:amd64 (1:0.9.10-1.1) ... Setting up tex-gyre (20180621-6) ... Setting up libhsakmt1:amd64 (5.7.0-1) ... Setting up libpangocairo-1.0-0:amd64 (1.52.1+ds-1) ... Setting up python3-imagesize (1.4.1-1) ... Setting up libspatialite8t64:amd64 (5.1.0-3) ... Setting up python3-pkg-resources (68.1.2-2ubuntu1) ... Setting up libpoppler-dev:amd64 (24.02.0-1ubuntu6) ... Setting up python3-more-itertools (10.2.0-1) ... Setting up libfabric1:amd64 (1.17.0-3build1) ... Setting up libxft2:amd64 (2.3.6-1) ... Setting up libxmu6:amd64 (2:1.1.3-3build1) ... Setting up libvulkan-dev:amd64 (1.3.275.0-1) ... Setting up libqt5dbus5t64:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up libglx-mesa0:amd64 (24.0.2-1ubuntu8) ... Setting up libpython3-dev:amd64 (3.12.2-0ubuntu1) ... Setting up libkmlregionator1t64:amd64 (1.3.0-12) ... Setting up libqt5sql5-sqlite:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up python3-setuptools (68.1.2-2ubuntu1) ... Setting up libvpl2 (2023.3.0-1) ... Setting up libxi6:amd64 (2:1.8.1-1) ... Setting up libglx0:amd64 (1.7.0-1) ... Setting up python3-babel (2.10.3-3build1) ... update-alternatives: using /usr/bin/pybabel-python3 to provide /usr/bin/pybabel (pybabel) in auto mode Setting up libgeotiff-dev:amd64 (1.7.1-5) ... Setting up libfontconfig-dev:amd64 (2.15.0-1.1ubuntu1) ... Setting up python3-alabaster (0.7.12-1) ... Setting up qdoc-qt5 (5.15.12-2build2) ... Setting up libxtst6:amd64 (2:1.2.3-1.1) ... Setting up libqt5concurrent5t64:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up libtk8.6:amd64 (8.6.14-1) ... Setting up libxcursor1:amd64 (1:1.2.1-1) ... Setting up libpoppler-private-dev:amd64 (24.02.0-1ubuntu6) ... Setting up libqt5positioning5:amd64 (5.15.12+dfsg-2) ... Setting up libqt5network5t64:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up libhdf5-hl-fortran-100t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up libqt5xml5t64:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up python3-all (3.12.2-0ubuntu1) ... Setting up debhelper (13.14.1ubuntu5) ... Setting up libavutil58:amd64 (7:6.1.1-2ubuntu2) ... Setting up libxaw7:amd64 (2:1.0.14-1build1) ... Setting up libqt5test5t64:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up python3-zipp (1.0.0-6) ... Setting up libibverbs-dev:amd64 (50.0-2build1) ... Setting up libxss-dev:amd64 (1:1.2.3-1build2) ... Setting up libhwloc-plugins:amd64 (2.10.0-1) ... Setting up librsvg2-2:amd64 (2.57.91+dfsg-2ubuntu1) ... Setting up qtbase5-dev-tools (5.15.12+dfsg-3ubuntu5) ... Setting up python3-pygments (2.17.2+dfsg-1) ... Setting up doxygen (1.9.8+ds-2build3) ... Setting up python3-chardet (5.2.0+dfsg-1) ... Setting up libgl1:amd64 (1.7.0-1) ... Setting up libtheora-dev:amd64 (1.1.1+dfsg.1-16.1build1) ... Setting up libswresample4:amd64 (7:6.1.1-2ubuntu2) ... Setting up libxt-dev:amd64 (1:1.2.1-1.2) ... Setting up libqt5qml5:amd64 (5.15.12+dfsg-1build1) ... Setting up libpython3-all-dev:amd64 (3.12.2-0ubuntu1) ... Setting up python3-dev (3.12.2-0ubuntu1) ... Setting up python3-requests (2.31.0+dfsg-1ubuntu1) ... Setting up libhdf5-dev (1.10.10+repack-3.1ubuntu2) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up libgvc6 (2.42.2-8build4) ... Setting up libnetcdf-dev (1:4.9.2-5ubuntu2) ... Setting up libqt5webchannel5:amd64 (5.15.12-1build1) ... Setting up libpmix2t64:amd64 (5.0.1-4.1) ... Setting up libspatialite-dev:amd64 (5.1.0-3) ... Setting up libglew2.2:amd64 (2.2.0-4) ... Setting up libavcodec60:amd64 (7:6.1.1-2ubuntu2) ... Setting up texlive-binaries (2023.20230311.66589-9build1) ... update-alternatives: using /usr/bin/xdvi-xaw to provide /usr/bin/xdvi.bin (xdvi.bin) in auto mode update-alternatives: using /usr/bin/bibtex.original to provide /usr/bin/bibtex (bibtex) in auto mode Setting up libhsa-runtime64-1 (5.7.1-1build1) ... Setting up libglx-dev:amd64 (1.7.0-1) ... Setting up libqt5sensors5:amd64 (5.15.12-1build1) ... Setting up texlive-base (2023.20240207-1) ... tl-paper: setting paper size for dvips to a4: /var/lib/texmf/dvips/config/config-paper.ps tl-paper: setting paper size for dvipdfmx to a4: /var/lib/texmf/dvipdfmx/dvipdfmx-paper.cfg tl-paper: setting paper size for xdvi to a4: /var/lib/texmf/xdvi/XDvi-paper tl-paper: setting paper size for pdftex to a4: /var/lib/texmf/tex/generic/tex-ini-files/pdftexconfig.tex Setting up libgl-dev:amd64 (1.7.0-1) ... Setting up libpmix-dev:amd64 (5.0.1-4.1) ... Setting up libswscale7:amd64 (7:6.1.1-2ubuntu2) ... Setting up libxft-dev:amd64 (2.3.6-1) ... Setting up dh-python (6.20231223ubuntu2) ... Setting up python3-all-dev (3.12.2-0ubuntu1) ... Setting up libavutil-dev:amd64 (7:6.1.1-2ubuntu2) ... Setting up graphviz (2.42.2-8build4) ... Setting up libkml-dev:amd64 (1.3.0-12) ... Setting up tk8.6 (8.6.14-1) ... Setting up libqt5qmlmodels5:amd64 (5.15.12+dfsg-1build1) ... Setting up libfontconfig1-dev:amd64 (2.15.0-1.1ubuntu1) ... Setting up python3-importlib-metadata (4.12.0-1) ... Setting up libegl-dev:amd64 (1.7.0-1) ... Setting up libswresample-dev:amd64 (7:6.1.1-2ubuntu2) ... Setting up pybuild-plugin-pyproject (6.20231223ubuntu2) ... Setting up libavcodec-dev:amd64 (7:6.1.1-2ubuntu2) ... Setting up libfltk1.3:amd64 (1.3.8-6build1) ... Setting up libavformat60:amd64 (7:6.1.1-2ubuntu2) ... Setting up libfltk-images1.3:amd64 (1.3.8-6build1) ... Setting up libgl2ps1.4 (1.4.2+dfsg1-2) ... Setting up libqt5qmlworkerscript5:amd64 (5.15.12+dfsg-1build1) ... Setting up libarmadillo-dev (1:12.6.7+dfsg-1build1) ... Setting up libqt5gui5t64:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up libamdhip64-5 (5.2.3-13) ... Setting up texlive-latex-base (2023.20240207-1) ... Setting up libswscale-dev:amd64 (7:6.1.1-2ubuntu2) ... Setting up texlive-latex-recommended (2023.20240207-1) ... Setting up libhdf4-alt-dev (4.2.16-4) ... Setting up libglu1-mesa-dev:amd64 (9.0.2-1.1) ... Setting up texlive-pictures (2023.20240207-1) ... Setting up tk8.6-dev:amd64 (8.6.14-1) ... Setting up texlive-fonts-recommended (2023.20240207-1) ... Setting up libgles-dev:amd64 (1.7.0-1) ... Setting up htmldoc (1.9.17-1build1) ... Setting up tk (8.6.13) ... Setting up libqt5quick5:amd64 (5.15.12+dfsg-1build1) ... Setting up libqt5quickshapes5:amd64 (5.15.12+dfsg-1build1) ... Setting up libucx0:amd64 (1.16.0+ds-4) ... Setting up libqt5widgets5t64:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up latexmk (1:4.83-1) ... Setting up libglvnd-dev:amd64 (1.7.0-1) ... Setting up texlive-latex-extra (2023.20240207-1) ... Setting up libavformat-dev:amd64 (7:6.1.1-2ubuntu2) ... Setting up libgl2ps-dev (1.4.2+dfsg1-2) ... Setting up libqt5help5:amd64 (5.15.12-2build2) ... Setting up qt5-qmltooling-plugins:amd64 (5.15.12+dfsg-1build1) ... Setting up libqt5quickwidgets5:amd64 (5.15.12+dfsg-1build1) ... Setting up libglew-dev:amd64 (2.2.0-4) ... Setting up tk-dev:amd64 (8.6.13) ... Setting up libopenmpi3t64:amd64 (4.1.6-6ubuntu1) ... Setting up libgl1-mesa-dev:amd64 (24.0.2-1ubuntu8) ... Setting up libpnetcdf0d:amd64 (1.12.3-2build1) ... Setting up libvtk9.1t64:amd64 (9.1.0+really9.1.0+dfsg2-7.1build2) ... Setting up libpnetcdf-dev:amd64 (1.12.3-2build1) ... Setting up libqt5opengl5t64:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up libqt5quickparticles5:amd64 (5.15.12+dfsg-1build1) ... Setting up openmpi-bin (4.1.6-6ubuntu1) ... update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode Setting up libqt5printsupport5t64:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up libqt5quicktest5:amd64 (5.15.12+dfsg-1build1) ... Setting up libqt5designer5:amd64 (5.15.12-2build2) ... Setting up qtdeclarative5-dev-tools (5.15.12+dfsg-1build1) ... Setting up mpi-default-bin (1.15) ... Setting up qhelpgenerator-qt5 (5.15.12-2build2) ... Setting up libqt5webkit5:amd64 (5.212.0~alpha4-34ubuntu3) ... Setting up libqt5designercomponents5:amd64 (5.15.12-2build2) ... Setting up python3-mpi4py (3.1.5-5ubuntu1) ... Setting up libhdf5-openmpi-103-1t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up libvtk9.1t64-qt:amd64 (9.1.0+really9.1.0+dfsg2-7.1build2) ... Setting up libvtk9-java (9.1.0+really9.1.0+dfsg2-7.1build2) ... Setting up vtk9 (9.1.0+really9.1.0+dfsg2-7.1build2) ... Setting up qtbase5-dev:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up qt5-assistant (5.15.12-2build2) ... Setting up qttools5-dev-tools (5.15.12-2build2) ... Setting up qtdeclarative5-dev:amd64 (5.15.12+dfsg-1build1) ... Setting up libhdf5-openmpi-fortran-102t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up libhdf5-openmpi-cpp-103-1t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up libopenmpi-dev:amd64 (4.1.6-6ubuntu1) ... update-alternatives: using /usr/lib/x86_64-linux-gnu/openmpi/include to provide /usr/include/x86_64-linux-gnu/mpi (mpi-x86_64-linux-gnu) in auto mode Setting up python3-vtk9 (9.1.0+really9.1.0+dfsg2-7.1build2) ... /usr/lib/python3/dist-packages/vtkmodules/util/vtkMethodParser.py:304: SyntaxWarning: invalid escape sequence '\S' patn = re.compile (" \S") Setting up libqt5opengl5-dev:amd64 (5.15.12+dfsg-3ubuntu5) ... Setting up libhdf5-openmpi-hl-100t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up libqt5webkit5-dev:amd64 (5.212.0~alpha4-34ubuntu3) ... Setting up libhdf5-openmpi-hl-fortran-100t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up qttools5-dev:amd64 (5.15.12-2build2) ... Setting up mpi-default-dev (1.15) ... Setting up libhdf5-openmpi-hl-cpp-100t64:amd64 (1.10.10+repack-3.1ubuntu2) ... Setting up libhdf5-openmpi-dev (1.10.10+repack-3.1ubuntu2) ... update-alternatives: using /usr/bin/h5pcc.openmpi to provide /usr/bin/h5pcc (h5pcc) in auto mode update-alternatives: using /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5-openmpi.pc to provide /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode update-alternatives: updating alternative /usr/bin/mpicc.openmpi because link group mpi has changed slave links update-alternatives: using /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5-mpi.pc to provide /usr/lib/x86_64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up qttools5-private-dev:amd64 (5.15.12-2build2) ... Setting up libhdf5-mpi-dev (1.10.10+repack-3.1ubuntu2) ... Setting up libheif-plugin-dav1d:amd64 (1.17.6-1ubuntu2) ... Setting up libheif1:amd64 (1.17.6-1ubuntu2) ... Setting up libheif-dev:amd64 (1.17.6-1ubuntu2) ... Setting up libgdal34t64:amd64 (3.8.4+dfsg-3ubuntu1) ... Setting up adwaita-icon-theme (46~rc-1) ... update-alternatives: using /usr/share/icons/Adwaita/cursor.theme to provide /usr/share/icons/default/index.theme (x-cursor-theme) in auto mode Setting up libgtk2.0-0t64:amd64 (2.24.33-3.1ubuntu1) ... Setting up libgdal-dev (3.8.4+dfsg-3ubuntu1) ... Setting up libheif-plugin-libde265:amd64 (1.17.6-1ubuntu2) ... Setting up humanity-icon-theme (0.6.16) ... Setting up ubuntu-mono (24.04-0ubuntu1) ... Processing triggers for systemd (255.4-1ubuntu4) ... Processing triggers for libc-bin (2.39-0ubuntu6) ... Processing triggers for ca-certificates-java (20240118) ... Adding debian:ACCVRAIZ1.pem Adding debian:AC_RAIZ_FNMT-RCM.pem Adding debian:AC_RAIZ_FNMT-RCM_SERVIDORES_SEGUROS.pem Adding debian:ANF_Secure_Server_Root_CA.pem Adding debian:Actalis_Authentication_Root_CA.pem Adding debian:AffirmTrust_Commercial.pem Adding debian:AffirmTrust_Networking.pem Adding debian:AffirmTrust_Premium.pem Adding debian:AffirmTrust_Premium_ECC.pem Adding debian:Amazon_Root_CA_1.pem Adding debian:Amazon_Root_CA_2.pem Adding debian:Amazon_Root_CA_3.pem Adding debian:Amazon_Root_CA_4.pem Adding debian:Atos_TrustedRoot_2011.pem Adding debian:Atos_TrustedRoot_Root_CA_ECC_TLS_2021.pem Adding debian:Atos_TrustedRoot_Root_CA_RSA_TLS_2021.pem Adding debian:Autoridad_de_Certificacion_Firmaprofesional_CIF_A62634068.pem Adding debian:BJCA_Global_Root_CA1.pem Adding debian:BJCA_Global_Root_CA2.pem Adding debian:Baltimore_CyberTrust_Root.pem Adding debian:Buypass_Class_2_Root_CA.pem Adding debian:Buypass_Class_3_Root_CA.pem Adding debian:CA_Disig_Root_R2.pem Adding debian:CFCA_EV_ROOT.pem Adding debian:COMODO_Certification_Authority.pem Adding debian:COMODO_ECC_Certification_Authority.pem Adding debian:COMODO_RSA_Certification_Authority.pem Adding debian:Certainly_Root_E1.pem Adding debian:Certainly_Root_R1.pem Adding debian:Certigna.pem Adding debian:Certigna_Root_CA.pem Adding debian:Certum_EC-384_CA.pem Adding debian:Certum_Trusted_Network_CA.pem Adding debian:Certum_Trusted_Network_CA_2.pem Adding debian:Certum_Trusted_Root_CA.pem Adding debian:CommScope_Public_Trust_ECC_Root-01.pem Adding debian:CommScope_Public_Trust_ECC_Root-02.pem Adding debian:CommScope_Public_Trust_RSA_Root-01.pem Adding debian:CommScope_Public_Trust_RSA_Root-02.pem Adding debian:Comodo_AAA_Services_root.pem Adding debian:D-TRUST_BR_Root_CA_1_2020.pem Adding debian:D-TRUST_EV_Root_CA_1_2020.pem Adding debian:D-TRUST_Root_Class_3_CA_2_2009.pem Adding debian:D-TRUST_Root_Class_3_CA_2_EV_2009.pem Adding debian:DigiCert_Assured_ID_Root_CA.pem Adding debian:DigiCert_Assured_ID_Root_G2.pem Adding debian:DigiCert_Assured_ID_Root_G3.pem Adding debian:DigiCert_Global_Root_CA.pem Adding debian:DigiCert_Global_Root_G2.pem Adding debian:DigiCert_Global_Root_G3.pem Adding debian:DigiCert_High_Assurance_EV_Root_CA.pem Adding debian:DigiCert_TLS_ECC_P384_Root_G5.pem Adding debian:DigiCert_TLS_RSA4096_Root_G5.pem Adding debian:DigiCert_Trusted_Root_G4.pem Adding debian:Entrust.net_Premium_2048_Secure_Server_CA.pem Adding debian:Entrust_Root_Certification_Authority.pem Adding debian:Entrust_Root_Certification_Authority_-_EC1.pem Adding debian:Entrust_Root_Certification_Authority_-_G2.pem Adding debian:Entrust_Root_Certification_Authority_-_G4.pem Adding debian:GDCA_TrustAUTH_R5_ROOT.pem Adding debian:GLOBALTRUST_2020.pem Adding debian:GTS_Root_R1.pem Adding debian:GTS_Root_R2.pem Adding debian:GTS_Root_R3.pem Adding debian:GTS_Root_R4.pem Adding debian:GlobalSign_ECC_Root_CA_-_R4.pem Adding debian:GlobalSign_ECC_Root_CA_-_R5.pem Adding debian:GlobalSign_Root_CA.pem Adding debian:GlobalSign_Root_CA_-_R3.pem Adding debian:GlobalSign_Root_CA_-_R6.pem Adding debian:GlobalSign_Root_E46.pem Adding debian:GlobalSign_Root_R46.pem Adding debian:Go_Daddy_Class_2_CA.pem Adding debian:Go_Daddy_Root_Certificate_Authority_-_G2.pem Adding debian:HARICA_TLS_ECC_Root_CA_2021.pem Adding debian:HARICA_TLS_RSA_Root_CA_2021.pem Adding debian:Hellenic_Academic_and_Research_Institutions_ECC_RootCA_2015.pem Adding debian:Hellenic_Academic_and_Research_Institutions_RootCA_2015.pem Adding debian:HiPKI_Root_CA_-_G1.pem Adding debian:Hongkong_Post_Root_CA_3.pem Adding debian:ISRG_Root_X1.pem Adding debian:ISRG_Root_X2.pem Adding debian:IdenTrust_Commercial_Root_CA_1.pem Adding debian:IdenTrust_Public_Sector_Root_CA_1.pem Adding debian:Izenpe.com.pem Adding debian:Microsec_e-Szigno_Root_CA_2009.pem Adding debian:Microsoft_ECC_Root_Certificate_Authority_2017.pem Adding debian:Microsoft_RSA_Root_Certificate_Authority_2017.pem Adding debian:NAVER_Global_Root_Certification_Authority.pem Adding debian:NetLock_Arany_=Class_Gold=_Főtanúsítvány.pem Adding debian:OISTE_WISeKey_Global_Root_GB_CA.pem Adding debian:OISTE_WISeKey_Global_Root_GC_CA.pem Adding debian:QuoVadis_Root_CA_1_G3.pem Adding debian:QuoVadis_Root_CA_2.pem Adding debian:QuoVadis_Root_CA_2_G3.pem Adding debian:QuoVadis_Root_CA_3.pem Adding debian:QuoVadis_Root_CA_3_G3.pem Adding debian:SSL.com_EV_Root_Certification_Authority_ECC.pem Adding debian:SSL.com_EV_Root_Certification_Authority_RSA_R2.pem Adding debian:SSL.com_Root_Certification_Authority_ECC.pem Adding debian:SSL.com_Root_Certification_Authority_RSA.pem Adding debian:SSL.com_TLS_ECC_Root_CA_2022.pem Adding debian:SSL.com_TLS_RSA_Root_CA_2022.pem Adding debian:SZAFIR_ROOT_CA2.pem Adding debian:Sectigo_Public_Server_Authentication_Root_E46.pem Adding debian:Sectigo_Public_Server_Authentication_Root_R46.pem Adding debian:SecureSign_RootCA11.pem Adding debian:SecureTrust_CA.pem Adding debian:Secure_Global_CA.pem Adding debian:Security_Communication_ECC_RootCA1.pem Adding debian:Security_Communication_RootCA2.pem Adding debian:Security_Communication_RootCA3.pem Adding debian:Security_Communication_Root_CA.pem Adding debian:Starfield_Class_2_CA.pem Adding debian:Starfield_Root_Certificate_Authority_-_G2.pem Adding debian:Starfield_Services_Root_Certificate_Authority_-_G2.pem Adding debian:SwissSign_Gold_CA_-_G2.pem Adding debian:SwissSign_Silver_CA_-_G2.pem Adding debian:T-TeleSec_GlobalRoot_Class_2.pem Adding debian:T-TeleSec_GlobalRoot_Class_3.pem Adding debian:TUBITAK_Kamu_SM_SSL_Kok_Sertifikasi_-_Surum_1.pem Adding debian:TWCA_Global_Root_CA.pem Adding debian:TWCA_Root_Certification_Authority.pem Adding debian:TeliaSonera_Root_CA_v1.pem Adding debian:Telia_Root_CA_v2.pem Adding debian:TrustAsia_Global_Root_CA_G3.pem Adding debian:TrustAsia_Global_Root_CA_G4.pem Adding debian:Trustwave_Global_Certification_Authority.pem Adding debian:Trustwave_Global_ECC_P256_Certification_Authority.pem Adding debian:Trustwave_Global_ECC_P384_Certification_Authority.pem Adding debian:TunTrust_Root_CA.pem Adding debian:UCA_Extended_Validation_Root.pem Adding debian:UCA_Global_G2_Root.pem Adding debian:USERTrust_ECC_Certification_Authority.pem Adding debian:USERTrust_RSA_Certification_Authority.pem Adding debian:XRamp_Global_CA_Root.pem Adding debian:certSIGN_ROOT_CA.pem Adding debian:certSIGN_Root_CA_G2.pem Adding debian:e-Szigno_Root_CA_2017.pem Adding debian:ePKI_Root_Certification_Authority.pem Adding debian:emSign_ECC_Root_CA_-_C3.pem Adding debian:emSign_ECC_Root_CA_-_G3.pem Adding debian:emSign_Root_CA_-_C1.pem Adding debian:emSign_Root_CA_-_G1.pem Adding debian:vTrus_ECC_Root_CA.pem Adding debian:vTrus_Root_CA.pem done. Setting up openjdk-21-jre:amd64 (21.0.3~6ea-1) ... Setting up openjdk-21-jdk-headless:amd64 (21.0.3~6ea-1) ... update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jar to provide /usr/bin/jar (jar) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jarsigner to provide /usr/bin/jarsigner (jarsigner) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/javac to provide /usr/bin/javac (javac) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/javadoc to provide /usr/bin/javadoc (javadoc) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/javap to provide /usr/bin/javap (javap) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jcmd to provide /usr/bin/jcmd (jcmd) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jdb to provide /usr/bin/jdb (jdb) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jdeprscan to provide /usr/bin/jdeprscan (jdeprscan) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jdeps to provide /usr/bin/jdeps (jdeps) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jfr to provide /usr/bin/jfr (jfr) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jimage to provide /usr/bin/jimage (jimage) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jinfo to provide /usr/bin/jinfo (jinfo) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jlink to provide /usr/bin/jlink (jlink) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jmap to provide /usr/bin/jmap (jmap) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jmod to provide /usr/bin/jmod (jmod) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jps to provide /usr/bin/jps (jps) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jrunscript to provide /usr/bin/jrunscript (jrunscript) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jshell to provide /usr/bin/jshell (jshell) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jstack to provide /usr/bin/jstack (jstack) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jstat to provide /usr/bin/jstat (jstat) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jstatd to provide /usr/bin/jstatd (jstatd) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jwebserver to provide /usr/bin/jwebserver (jwebserver) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/serialver to provide /usr/bin/serialver (serialver) in auto mode update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jhsdb to provide /usr/bin/jhsdb (jhsdb) in auto mode Setting up default-jre-headless (2:1.21-75+exp1) ... Setting up default-jre (2:1.21-75+exp1) ... Setting up openjdk-21-jdk:amd64 (21.0.3~6ea-1) ... update-alternatives: using /usr/lib/jvm/java-21-openjdk-amd64/bin/jconsole to provide /usr/bin/jconsole (jconsole) in auto mode Setting up default-jdk-headless (2:1.21-75+exp1) ... Setting up default-jdk (2:1.21-75+exp1) ... Setting up libvtk9-dev (9.1.0+really9.1.0+dfsg2-7.1build2) ... Setting up libvtk9-qt-dev:amd64 (9.1.0+really9.1.0+dfsg2-7.1build2) ... Processing triggers for sgml-base (1.31) ... Setting up docutils-common (0.20.1+dfsg-3) ... Processing triggers for sgml-base (1.31) ... Setting up python3-docutils (0.20.1+dfsg-3) ... Setting up python3-sphinx (7.2.6-5) ... Setting up python3-sphinxcontrib.spelling (7.7.0-1) ... Setting up python3-breathe (4.35.0-3) ... Setting up python3-sphinxcontrib.jquery (4.1-5) ... Setting up python3-sphinx-tabs (3.4.4-1) ... Setting up sbuild-build-depends-main-dummy (0.invalid.0) ... (Reading database ... 107495 files and directories currently installed.) Purging configuration files for libgnutls30:amd64 (3.8.3-1ubuntu1) ... Processing triggers for tex-common (6.18) ... Running updmap-sys. This may take some time... done. Running mktexlsr /var/lib/texmf ... done. Building format(s) --all. This may take some time... done. Processing triggers for dictionaries-common (1.29.7) ... +------------------------------------------------------------------------------+ | Check architectures | +------------------------------------------------------------------------------+ Arch check ok (amd64 included in any all) +------------------------------------------------------------------------------+ | Build environment | +------------------------------------------------------------------------------+ Kernel: Linux 5.4.0-173-generic #191-Ubuntu SMP Fri Feb 2 13:55:07 UTC 2024 amd64 (x86_64) Toolchain package versions: binutils_2.42-3ubuntu1 dpkg-dev_1.22.5ubuntu4 g++-13_13.2.0-19ubuntu1 gcc-13_13.2.0-19ubuntu1 libc6-dev_2.39-0ubuntu6 libstdc++-13-dev_13.2.0-19ubuntu1 libstdc++6_14-20240315-1ubuntu1 linux-libc-dev_6.8.0-19.19 Package versions: adduser_3.137ubuntu1 advancecomp_2.5-1 adwaita-icon-theme_46~rc-1 apt_2.7.3 apt-utils_2.7.3 at-spi2-common_2.51.90-3 autoconf_2.71-3 automake_1:1.16.5-1.3ubuntu1 autopoint_0.21-14ubuntu1 autotools-dev_20220109.1 base-files_13ubuntu7 base-passwd_3.6.3 bash_5.2.21-2ubuntu2 bash-completion_1:2.11-8 binutils_2.42-3ubuntu1 binutils-common_2.42-3ubuntu1 binutils-x86-64-linux-gnu_2.42-3ubuntu1 bsdextrautils_2.39.3-9ubuntu2 bsdutils_1:2.39.3-9ubuntu2 build-essential_12.10ubuntu1 bzip2_1.0.8-5ubuntu1 ca-certificates_20240203 ca-certificates-java_20240118 cmake_3.28.3-1build4 cmake-data_3.28.3-1build4 coreutils_9.4-3ubuntu3 cpp_4:13.2.0-7ubuntu1 cpp-13_13.2.0-19ubuntu1 cpp-13-x86-64-linux-gnu_13.2.0-19ubuntu1 cpp-x86-64-linux-gnu_4:13.2.0-7ubuntu1 dash_0.5.12-6ubuntu4 debconf_1.5.86 debconf-i18n_1.5.86 debhelper_13.14.1ubuntu5 debianutils_5.17 debugedit_1:5.0-5 default-jdk_2:1.21-75+exp1 default-jdk-headless_2:1.21-75+exp1 default-jre_2:1.21-75+exp1 default-jre-headless_2:1.21-75+exp1 default-libmysqlclient-dev_1.1.0 dh-autoreconf_20 dh-python_6.20231223ubuntu2 dh-strip-nondeterminism_1.13.1-1 dictionaries-common_1.29.7 diffutils_1:3.10-1 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python3-alabaster_0.7.12-1 python3-all_3.12.2-0ubuntu1 python3-all-dev_3.12.2-0ubuntu1 python3-babel_2.10.3-3build1 python3-breathe_4.35.0-3 python3-build_1.0.3-2 python3-certifi_2023.11.17-1 python3-chardet_5.2.0+dfsg-1 python3-dev_3.12.2-0ubuntu1 python3-docutils_0.20.1+dfsg-3 python3-enchant_3.2.2-1 python3-idna_3.6-2 python3-imagesize_1.4.1-1 python3-importlib-metadata_4.12.0-1 python3-installer_0.7.0+dfsg1-2 python3-jinja2_3.1.2-1ubuntu1 python3-markupsafe_2.1.5-1 python3-minimal_3.12.2-0ubuntu1 python3-more-itertools_10.2.0-1 python3-mpi4py_3.1.5-5ubuntu1 python3-packaging_23.2-1 python3-pip-whl_24.0+dfsg-1ubuntu1 python3-pkg-resources_68.1.2-2ubuntu1 python3-pygments_2.17.2+dfsg-1 python3-pyproject-hooks_1.0.0-2 python3-requests_2.31.0+dfsg-1ubuntu1 python3-roman_3.3-3 python3-setuptools_68.1.2-2ubuntu1 python3-setuptools-whl_68.1.2-2ubuntu1 python3-snowballstemmer_2.2.0-4 python3-sphinx_7.2.6-5 python3-sphinx-tabs_3.4.4-1 python3-sphinxcontrib.jquery_4.1-5 python3-sphinxcontrib.spelling_7.7.0-1 python3-toml_0.10.2-1 python3-tz_2024.1-2 python3-urllib3_2.0.7-1 python3-venv_3.12.2-0ubuntu1 python3-vtk9_9.1.0+really9.1.0+dfsg2-7.1build2 python3-wheel_0.42.0-2 python3-zipp_1.0.0-6 python3.12_3.12.2-4build2 python3.12-dev_3.12.2-4build2 python3.12-minimal_3.12.2-4build2 python3.12-venv_3.12.2-4build2 qdoc-qt5_5.15.12-2build2 qhelpgenerator-qt5_5.15.12-2build2 qt5-assistant_5.15.12-2build2 qt5-qmake_5.15.12+dfsg-3ubuntu5 qt5-qmake-bin_5.15.12+dfsg-3ubuntu5 qt5-qmltooling-plugins_5.15.12+dfsg-1build1 qtattributionsscanner-qt5_5.15.12-2build2 qtbase5-dev_5.15.12+dfsg-3ubuntu5 qtbase5-dev-tools_5.15.12+dfsg-3ubuntu5 qtchooser_66-2build1 qtdeclarative5-dev_5.15.12+dfsg-1build1 qtdeclarative5-dev-tools_5.15.12+dfsg-1build1 qttools5-dev_5.15.12-2build2 qttools5-dev-tools_5.15.12-2build2 qttools5-private-dev_5.15.12-2build2 readline-common_8.2-3.1 rpcsvc-proto_1.4.2-0ubuntu6 sbuild-build-depends-main-dummy_0.invalid.0 sed_4.9-2 sensible-utils_0.0.22 sgml-base_1.31 shared-mime-info_2.4-1build1 sphinx-common_7.2.6-5 sphinx-rtd-theme-common_2.0.0+dfsg-1 systemd_255.4-1ubuntu4 systemd-dev_255.4-1ubuntu4 systemd-sysv_255.4-1ubuntu4 sysvinit-utils_3.08-6ubuntu2 t1utils_1.41-4build2 tar_1.35+dfsg-3 tcl_8.6.13 tcl-dev_8.6.13 tcl8.6_8.6.14+dfsg-1 tcl8.6-dev_8.6.14+dfsg-1 tex-common_6.18 tex-gyre_20180621-6 texlive-base_2023.20240207-1 texlive-binaries_2023.20230311.66589-9build1 texlive-fonts-recommended_2023.20240207-1 texlive-latex-base_2023.20240207-1 texlive-latex-extra_2023.20240207-1 texlive-latex-recommended_2023.20240207-1 texlive-pictures_2023.20240207-1 tk_8.6.13 tk-dev_8.6.13 tk8.6_8.6.14-1 tk8.6-dev_8.6.14-1 tzdata_2024a-1ubuntu1 ubuntu-keyring_2023.11.28.1 ubuntu-mono_24.04-0ubuntu1 ucf_3.0043+nmu1 unixodbc-common_2.3.12-1build1 unixodbc-dev_2.3.12-1build1 util-linux_2.39.3-9ubuntu2 uuid-dev_2.39.3-9ubuntu2 uuid-runtime_2.39.3-9ubuntu2 voro++-dev_0.5+revert-to-0.4.6+dfsg1-1 vtk9_9.1.0+really9.1.0+dfsg2-7.1build2 x11-common_1:7.7+23ubuntu2 x11proto-dev_2023.2-1 xdg-utils_1.1.3-4.1ubuntu3 xfonts-encodings_1:1.0.5-0ubuntu2 xfonts-utils_1:7.7+6build2 xkb-data_2.41-2 xml-core_0.19 xorg-sgml-doctools_1:1.11-1.1 xtrans-dev_1.4.0-1 xz-utils_5.6.0-0.2 zlib1g_1:1.3.dfsg-3.1ubuntu1 zlib1g-dev_1:1.3.dfsg-3.1ubuntu1 +------------------------------------------------------------------------------+ | Build | +------------------------------------------------------------------------------+ Unpack source ------------- -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: lammps Binary: lammps, liblammps-dev, liblammps0t64, python3-lammps, lammps-doc, lammps-data, lammps-examples Architecture: any all Version: 20240207+dfsg-1.1build2 Maintainer: Ubuntu Developers Uploaders: Anton Gladky Homepage: https://lammps.sandia.gov/ Standards-Version: 4.6.2 Vcs-Browser: https://salsa.debian.org/science-team/lammps Vcs-Git: https://salsa.debian.org/science-team/lammps.git Testsuite: autopkgtest Testsuite-Triggers: python3 Build-Depends: dpkg-dev (>= 1.22.5), cmake, debhelper-compat (= 13), dh-python, pybuild-plugin-pyproject, gfortran | fortran-compiler, libavcodec-dev, libeigen3-dev, libfftw3-dev, libhdf5-mpi-dev, libjpeg-dev, libkim-api-dev, libnetcdf-dev, libpnetcdf-dev [amd64 arm64 mips64el ppc64el riscv64 s390x ia64 ppc64 sparc64], libsymspg-dev, libvtk9-dev, libvtk9-qt-dev, mpi-default-bin, mpi-default-dev, ocl-icd-opencl-dev | opencl-dev, python3-all-dev, python3-sphinx, voro++-dev Build-Depends-Indep: libjs-sphinxdoc, libjs-jquery, libjs-mathjax, libjs-underscore, texlive-latex-recommended, texlive-fonts-recommended, texlive-latex-extra, tex-gyre, doxygen, sphinx-rtd-theme-common, latexmk, htmldoc, python3-sphinx-tabs, python3-sphinxcontrib.jquery, python3-sphinxcontrib.spelling, python3-breathe, python3-venv, git Package-List: lammps deb science optional arch=any lammps-data deb doc optional arch=all lammps-doc deb doc optional arch=all lammps-examples deb doc optional arch=all liblammps-dev deb science optional arch=any liblammps0t64 deb science optional arch=any python3-lammps deb python optional arch=any Checksums-Sha1: d976c02ea7e609f7b5df447890393bc39e3dc046 153400656 lammps_20240207+dfsg.orig.tar.xz efae4c2b78743950584a973d4361db0556faa217 17072 lammps_20240207+dfsg-1.1build2.debian.tar.xz Checksums-Sha256: dfc5347ab37e918c73edb6f67f0669683197d8218c74acab4e3a0496d39bedf4 153400656 lammps_20240207+dfsg.orig.tar.xz 981ed154338894bd6d1d12f051992a3c4d92e864641d02ad9d18f2857c675115 17072 lammps_20240207+dfsg-1.1build2.debian.tar.xz Files: e8f446c3282aa89ff9ab7b67fa710586 153400656 lammps_20240207+dfsg.orig.tar.xz 71de4f9e94d777d8dc3f44de255d1c26 17072 lammps_20240207+dfsg-1.1build2.debian.tar.xz Original-Maintainer: Debian Science Maintainers -----BEGIN PGP SIGNATURE----- iQJOBAEBCgA4FiEErEg/aN5yj0PyIC/KVo0w8yGyEz0FAmX1PFQaHHN0ZXZlLmxh bmdhc2VrQHVidW50dS5jb20ACgkQVo0w8yGyEz2pUhAAlMMkFeJVE395OwCmWOhm 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no acceptable signature found dpkg-source: info: extracting lammps in /<> dpkg-source: info: unpacking lammps_20240207+dfsg.orig.tar.xz dpkg-source: info: unpacking lammps_20240207+dfsg-1.1build2.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying 20_set_potentials_path.patch dpkg-source: info: applying 30_build_docs.patch dpkg-source: info: applying do-not-install-potentials.patch Check disk space ---------------- Sufficient free space for build User Environment ---------------- APT_CONFIG=/var/lib/sbuild/apt.conf DEB_BUILD_OPTIONS=parallel=4 HOME=/sbuild-nonexistent LANG=C.UTF-8 LC_ALL=C.UTF-8 LOGNAME=buildd PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games SCHROOT_ALIAS_NAME=build-PACKAGEBUILD-27929703 SCHROOT_CHROOT_NAME=build-PACKAGEBUILD-27929703 SCHROOT_COMMAND=env SCHROOT_GID=2501 SCHROOT_GROUP=buildd SCHROOT_SESSION_ID=build-PACKAGEBUILD-27929703 SCHROOT_UID=2001 SCHROOT_USER=buildd SHELL=/bin/sh TERM=unknown USER=buildd V=1 dpkg-buildpackage ----------------- Command: dpkg-buildpackage -us -uc -mLaunchpad Build Daemon -b -rfakeroot dpkg-buildpackage: info: source package lammps dpkg-buildpackage: info: source version 20240207+dfsg-1.1build2 dpkg-buildpackage: info: source distribution noble dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 fakeroot debian/rules clean dh clean --with python3,sphinxdoc --sourcedirectory=cmake --builddirectory=/<>/debian/build dh_auto_clean -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules execute_after_dh_auto_clean make[1]: Entering directory '/<>' rm -rf /<>/debian/build rm -rf .pybuild rm -rf python/build rm -rf python/lammps.egg-info rm -f python/examples/log.lammps if [ -d doc/html.orig ]; then \ rm -rf doc/html; \ mv doc/html.orig doc/html; \ fi rm -rf doc/docenv doc/doctrees doc/utils/sphinx-config/conf.py rm -rf doc/doxygen/xml doc/doxygen-warn.log doc/doxygen/Doxyfile make[1]: Leaving directory '/<>' dh_autoreconf_clean -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_clean -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules build dh build --with python3,sphinxdoc --sourcedirectory=cmake --builddirectory=/<>/debian/build dh_update_autotools_config -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_autoreconf -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules override_dh_auto_configure make[1]: Entering directory '/<>' dh_auto_configure -- \ -DBUILD_SHARED_LIBS=ON \ -DCMAKE_SKIP_INSTALL_RPATH=TRUE \ -DPKG_ASPHERE=ON \ -DPKG_ATC=ON \ -DPKG_AWPMD=ON \ -DPKG_BOCS=ON \ -DPKG_BODY=ON \ -DPKG_CG-DNA=ON \ -DPKG_CG-SPICA=ON \ -DPKG_CLASS2=ON \ -DPKG_COLLOID=ON \ -DPKG_COMPRESS=ON \ -DPKG_CORESHELL=ON \ -DPKG_EXTRA-PAIR=ON \ -DPKG_DIELECTRIC=ON \ -DPKG_DIFFRACTION=ON \ -DPKG_DIPOLE=ON \ -DPKG_DPD-BASIC=ON \ -DPKG_DRUDE=ON \ -DPKG_EFF=ON \ -DPKG_ELECTRODE=ON \ -DUSE_INTERNAL_LINALG=no \ -DPKG_FEP=ON \ -DPKG_GPU=OFF \ -DPKG_GRANULAR=ON \ -DPKG_H5MD=ON \ -DPKG_KIM=ON \ -DPKG_KSPACE=ON \ -DPKG_LATBOLTZ=ON \ -DPKG_MANIFOLD=ON \ -DPKG_MANYBODY=ON \ -DPKG_MC=ON \ -DPKG_MEAM=ON \ -DPKG_MGPT=ON \ -DPKG_MISC=ON \ -DPKG_MOFFF=ON \ -DPKG_MOLFILE=ON \ -DPKG_MPIIO=ON \ -DPKG_MOLECULE=ON \ -DPKG_NETCDF=ON \ -DPKG_OPENMP==ON \ -DPKG_OPT=ON \ -DPKG_ORIENT=ON \ -DPKG_PERI=ON \ -DPKG_PHONON=ON \ -DPKG_POEMS=ON \ -DPKG_PYTHON=ON \ -DPKG_QEQ=ON \ -DPKG_QTB=ON \ -DPKG_REAXFF=OFF \ -DPKG_REPLICA=ON \ -DPKG_RIGID=ON \ -DPKG_SHOCK=ON \ -DPKG_SMTBQ=ON \ -DPKG_SNAP=ON \ -DPKG_SPH=ON \ -DPKG_SRD=ON \ -DPKG_TALLY=ON \ -DPKG_UEF=ON \ -DPKG_VTK=ON \ -DPKG_VORONOI=ON cd debian/build && DEB_PYTHON_INSTALL_LAYOUT=deb cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY=ON -DFETCHCONTENT_FULLY_DISCONNECTED=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run -DCMAKE_SKIP_INSTALL_ALL_DEPENDENCY=ON "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu -DBUILD_SHARED_LIBS=ON -DCMAKE_SKIP_INSTALL_RPATH=TRUE -DPKG_ASPHERE=ON -DPKG_ATC=ON -DPKG_AWPMD=ON -DPKG_BOCS=ON -DPKG_BODY=ON -DPKG_CG-DNA=ON -DPKG_CG-SPICA=ON -DPKG_CLASS2=ON -DPKG_COLLOID=ON -DPKG_COMPRESS=ON -DPKG_CORESHELL=ON -DPKG_EXTRA-PAIR=ON -DPKG_DIELECTRIC=ON -DPKG_DIFFRACTION=ON -DPKG_DIPOLE=ON -DPKG_DPD-BASIC=ON -DPKG_DRUDE=ON -DPKG_EFF=ON -DPKG_ELECTRODE=ON -DUSE_INTERNAL_LINALG=no -DPKG_FEP=ON -DPKG_GPU=OFF -DPKG_GRANULAR=ON -DPKG_H5MD=ON -DPKG_KIM=ON -DPKG_KSPACE=ON -DPKG_LATBOLTZ=ON -DPKG_MANIFOLD=ON -DPKG_MANYBODY=ON -DPKG_MC=ON -DPKG_MEAM=ON -DPKG_MGPT=ON -DPKG_MISC=ON -DPKG_MOFFF=ON -DPKG_MOLFILE=ON -DPKG_MPIIO=ON -DPKG_MOLECULE=ON -DPKG_NETCDF=ON -DPKG_OPENMP==ON -DPKG_OPT=ON -DPKG_ORIENT=ON -DPKG_PERI=ON -DPKG_PHONON=ON -DPKG_POEMS=ON -DPKG_PYTHON=ON -DPKG_QEQ=ON -DPKG_QTB=ON -DPKG_REAXFF=OFF -DPKG_REPLICA=ON -DPKG_RIGID=ON -DPKG_SHOCK=ON -DPKG_SMTBQ=ON -DPKG_SNAP=ON -DPKG_SPH=ON -DPKG_SRD=ON -DPKG_TALLY=ON -DPKG_UEF=ON -DPKG_VTK=ON -DPKG_VORONOI=ON ../../cmake -- The CXX compiler identification is GNU 13.2.0 -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Found Git: /usr/bin/git (found version "2.43.0") -- Running check for auto-generated files from make-based build system -- Found MPI_CXX: /usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi_cxx.so (found version "3.1") -- Found MPI: TRUE (found version "3.1") -- Looking for C++ include omp.h -- Looking for C++ include omp.h - found -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") found components: CXX -- The C compiler identification is GNU 13.2.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/cc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Looking for sgemm_ -- Looking for sgemm_ - not found -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Looking for sgemm_ -- Looking for sgemm_ - found -- Found BLAS: /usr/lib/x86_64-linux-gnu/libblas.so -- Looking for cheev_ -- Looking for cheev_ - not found -- Looking for cheev_ -- Looking for cheev_ - found -- Found LAPACK: /usr/lib/x86_64-linux-gnu/liblapack.so;/usr/lib/x86_64-linux-gnu/libblas.so -- Found JPEG: /usr/lib/x86_64-linux-gnu/libjpeg.so (found version "80") -- Found PNG: /usr/lib/x86_64-linux-gnu/libpng.so (found version "1.6.43") -- Found ZLIB: /usr/lib/x86_64-linux-gnu/libz.so (found version "1.3") -- Found GZIP: /usr/bin/gzip -- Could NOT find FFMPEG (missing: FFMPEG_EXECUTABLE) -- Found PkgConfig: /usr/bin/pkg-config (found version "1.8.1") -- Checking for module 'fftw3' -- Found fftw3, version 3.3.10 -- Found FFTW3: /usr/lib/x86_64-linux-gnu/libfftw3.so -- Found Python: /usr/bin/python3 (found version "3.12.2") found components: Interpreter -- Found Python: /usr/bin/python3 (found version "3.12.2") found components: Interpreter Development Development.Module Development.Embed -- Found VORO: /usr/lib/x86_64-linux-gnu/libvoro++.so -- Found NetCDF: /usr/lib/x86_64-linux-gnu/libnetcdf.so -- Found PNetCDF: /usr/lib/x86_64-linux-gnu/libpnetcdf.so -- Found GLEW: /usr/lib/x86_64-linux-gnu/libGLEW.so -- Found OpenGL: /usr/lib/x86_64-linux-gnu/libOpenGL.so found components: OpenGL GLX -- Found Python3: /usr/bin/python3 (found suitable version "3.12.2", minimum required is "3.12") found components: Interpreter Development.Module Development.Embed -- Found MPI_C: /usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi.so (found version "3.1") -- Found MPI: TRUE (found version "3.1") found components: C -- Found HDF5: /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libcrypto.so;/usr/lib/x86_64-linux-gnu/libcurl.so;/usr/lib/x86_64-linux-gnu/libpthread.a;/usr/lib/x86_64-linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.a;/usr/lib/x86_64-linux-gnu/libm.so (found version "1.10.10") found components: C HL -- Found NetCDF: /usr/include (found version "4.9.2") -- Found OGG: /usr/lib/x86_64-linux-gnu/libogg.so -- Found THEORA: /usr/lib/x86_64-linux-gnu/libtheora.so -- Found JsonCpp: /usr/lib/x86_64-linux-gnu/libjsoncpp.so (found suitable version "1.9.5", minimum required is "0.7.0") -- Found LibXml2: /usr/lib/x86_64-linux-gnu/libxml2.so (found version "2.9.14") -- Found GL2PS: /usr/lib/x86_64-linux-gnu/libgl2ps.so (found suitable version "1.4.2", minimum required is "1.4.2") -- Found SQLite3: /usr/include (found version "3.45.1") -- Found LibPROJ: /usr/lib/x86_64-linux-gnu/libproj.so (found version "9.4.0") -- Found Eigen3: /usr/include/eigen3 (found version "3.4.0") -- Found X11: /usr/include -- Looking for XOpenDisplay in /usr/lib/x86_64-linux-gnu/libX11.so;/usr/lib/x86_64-linux-gnu/libXext.so -- Looking for XOpenDisplay in /usr/lib/x86_64-linux-gnu/libX11.so;/usr/lib/x86_64-linux-gnu/libXext.so - found -- Looking for gethostbyname -- Looking for gethostbyname - found -- Looking for connect -- Looking for connect - found -- Looking for remove -- Looking for remove - found -- Looking for shmat -- Looking for shmat - found -- Looking for IceConnectionNumber in ICE -- Looking for IceConnectionNumber in ICE - found -- Found EXPAT: /usr/lib/x86_64-linux-gnu/libexpat.so (found version "2.6.1") -- Found double-conversion: /usr/lib/x86_64-linux-gnu/libdouble-conversion.so -- Found LZ4: /usr/lib/x86_64-linux-gnu/liblz4.so (found version "1.9.4") -- Found LZMA: /usr/lib/x86_64-linux-gnu/liblzma.so (found version "5.6.0") -- Found TIFF: /usr/lib/x86_64-linux-gnu/libtiff.so (found version "4.5.1") -- Found Freetype: /usr/lib/x86_64-linux-gnu/libfreetype.so (found version "2.13.2") -- Found utf8cpp: /usr/include/utf8cpp -- Found CURL: /usr/lib/x86_64-linux-gnu/libcurl.so (found version "8.5.0") -- Found KIM-API: /usr/lib/x86_64-linux-gnu/libkim-api.so.2.3.0 -- Checking for module 'libzstd>=1.4' -- Found libzstd, version 1.5.5 -- Looking for C++ include cmath -- Looking for C++ include cmath - found -- Found HDF5: /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so;/usr/lib/x86_64-linux-gnu/libcrypto.so;/usr/lib/x86_64-linux-gnu/libcurl.so;/usr/lib/x86_64-linux-gnu/libpthread.a;/usr/lib/x86_64-linux-gnu/libsz.so;/usr/lib/x86_64-linux-gnu/libz.so;/usr/lib/x86_64-linux-gnu/libdl.a;/usr/lib/x86_64-linux-gnu/libm.so (found version "1.10.10") -- Generating style headers... -- Generating package headers... -- Generating lmpinstalledpkgs.h... -- Found Python: /usr/bin/python3 (found version "3.12.2") found components: Interpreter -- Found Python3: /usr/bin/python3 (found version "3.12.2") found components: Interpreter -- Could NOT find ClangFormat (missing: ClangFormat_EXECUTABLE) (Required is at least version "8.0") -- The following tools and libraries have been found and configured: * Git * OpenMP * LAPACK * BLAS * FFTW3 * VORO * PNetCDF * Qt5Core (required version >= 5.15.12) * Qt5Gui (required version >= 5.15.12) * GLEW * OpenGL * MPI * NetCDF * THEORA * OGG * JsonCpp (required version >= 0.7.0) * LibXml2 * GL2PS (required version >= 1.4.2) * PNG * SQLite3 * Qt5OpenGL * Qt5Widgets * Qt5 (required version >= 5.15) * LibPROJ * Eigen3 * X11 * EXPAT * double-conversion * LZ4 * LZMA * JPEG * TIFF * Freetype * TBB * Threads * utf8cpp * VTK * CURL * KIM-API (required version >= 2.2.0) * ZLIB * HDF5 * Python * Python3 -- <<< Build configuration >>> LAMMPS Version: 20240207 Operating System: Linux Ubuntu" 24.04 CMake Version: 3.28.3 Build type: None Install path: /usr Generator: Unix Makefiles using /usr/bin/gmake -- Enabled packages: ASPHERE;ATC;AWPMD;BOCS;BODY;CG-DNA;CG-SPICA;CLASS2;COLLOID;COMPRESS;CORESHELL;DIELECTRIC;DIFFRACTION;DIPOLE;DPD-BASIC;DRUDE;EFF;ELECTRODE;EXTRA-PAIR;FEP;GRANULAR;H5MD;KIM;KSPACE;LATBOLTZ;MANIFOLD;MANYBODY;MC;MEAM;MGPT;MISC;MOFFF;MOLECULE;MOLFILE;NETCDF;OPENMP;OPT;ORIENT;PERI;PHONON;POEMS;PYTHON;QEQ;QTB;REPLICA;RIGID;SHOCK;SMTBQ;SPH;SRD;TALLY;UEF;VORONOI;VTK -- <<< Compilers and Flags: >>> -- C++ Compiler: /usr/bin/c++ Type: GNU Version: 13.2.0 C++ Flags: -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 Defines: LAMMPS_SMALLBIG;LAMMPS_MEMALIGN=64;LAMMPS_OMP_COMPAT=4;LAMMPS_JPEG;LAMMPS_PNG;LAMMPS_GZIP;FFT_FFTW3;FFT_FFTW_THREADS;LMP_PYTHON;LMP_HAS_NETCDF;LMP_HAS_PNETCDF;NC_64BIT_DATA=0x0020;LAMMPS_VTK;LMP_KIM_CURL;LAMMPS_ZSTD;LMP_OPENMP -- C compiler: /usr/bin/cc Type: GNU Version: 13.2.0 C Flags: -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -- <<< Linker flags: >>> -- Executable name: lmp -- Executable linker flags: -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -Wl,-z,relro -- Shared library flags: -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -Wl,-z,relro -- <<< MPI flags >>> -- MPI_defines: MPICH_SKIP_MPICXX;OMPI_SKIP_MPICXX;_MPICC_H -- MPI includes: /usr/lib/x86_64-linux-gnu/openmpi/include;/usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -- MPI libraries: /usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi_cxx.so;/usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi.so; -- <<< FFT settings >>> -- Primary FFT lib: FFTW3 -- Using double precision FFTs -- Using threaded FFTs -- Using builtin distributed FFT algorithms -- Configuring done (7.8s) -- Generating done (0.1s) -- Build files have been written to: /<>/debian/build make[1]: Leaving directory '/<>' dh_auto_build -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build cd debian/build && make -j4 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/<>/debian/build' /usr/bin/cmake -P /<>/debian/build/CMakeFiles/VerifyGlobs.cmake /usr/bin/cmake -S/<>/cmake -B/<>/debian/build --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /<>/debian/build/CMakeFiles /<>/debian/build//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[2]: Entering directory '/<>/debian/build' make -f CMakeFiles/fmt_format.h.dir/build.make CMakeFiles/fmt_format.h.dir/depend make -f CMakeFiles/poems.dir/build.make CMakeFiles/poems.dir/depend make -f CMakeFiles/atc.dir/build.make CMakeFiles/atc.dir/depend make -f CMakeFiles/awpmd.dir/build.make CMakeFiles/awpmd.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/fmt_format.h.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/poems.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/awpmd.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/atc.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/poems.dir/build.make CMakeFiles/poems.dir/build make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/fmt_format.h.dir/build.make CMakeFiles/fmt_format.h.dir/build make[3]: Entering directory '/<>/debian/build' make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/awpmd.dir/build.make CMakeFiles/awpmd.dir/build make[3]: Entering directory '/<>/debian/build' make[3]: Entering directory '/<>/debian/build' make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/atc.dir/build.make CMakeFiles/atc.dir/build [ 0%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/body.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/body.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/body.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/body.cpp.o -c /<>/lib/poems/body.cpp [ 0%] Generating includes/lammps/fmt/format.h make[3]: Entering directory '/<>/debian/build' /usr/bin/cmake -E copy_if_different /<>/src/fmt/format.h /<>/debian/build/includes/lammps/fmt/format.h [ 0%] Building CXX object CMakeFiles/awpmd.dir/<>/lib/awpmd/ivutils/src/logexc.cpp.o /usr/bin/c++ -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/awpmd.dir/<>/lib/awpmd/ivutils/src/logexc.cpp.o -MF CMakeFiles/awpmd.dir/<>/lib/awpmd/ivutils/src/logexc.cpp.o.d -o CMakeFiles/awpmd.dir/<>/lib/awpmd/ivutils/src/logexc.cpp.o -c /<>/lib/awpmd/ivutils/src/logexc.cpp [ 0%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_Coupling.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ATC_Coupling.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ATC_Coupling.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ATC_Coupling.cpp.o -c /<>/lib/atc/ATC_Coupling.cpp make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target fmt_format.h make -f CMakeFiles/h5md.dir/build.make CMakeFiles/h5md.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/h5md.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/h5md.dir/build.make CMakeFiles/h5md.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Building C object CMakeFiles/h5md.dir/<>/lib/h5md/src/ch5md.c.o /usr/bin/cc -I/<>/lib/h5md/include -I/usr/include/hdf5/serial -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -fPIC -MD -MT CMakeFiles/h5md.dir/<>/lib/h5md/src/ch5md.c.o -MF CMakeFiles/h5md.dir/<>/lib/h5md/src/ch5md.c.o.d -o CMakeFiles/h5md.dir/<>/lib/h5md/src/ch5md.c.o -c /<>/lib/h5md/src/ch5md.c [ 0%] Linking C static library liblammps_h5md.a /usr/bin/cmake -P CMakeFiles/h5md.dir/cmake_clean_target.cmake /usr/bin/cmake -E cmake_link_script CMakeFiles/h5md.dir/link.txt --verbose=1 /usr/bin/ar qc liblammps_h5md.a "CMakeFiles/h5md.dir/<>/lib/h5md/src/ch5md.c.o" /usr/bin/ranlib liblammps_h5md.a make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target h5md make -f CMakeFiles/gitversion.dir/build.make CMakeFiles/gitversion.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/gitversion.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/gitversion.dir/build.make CMakeFiles/gitversion.dir/build make[3]: Entering directory '/<>/debian/build' /usr/bin/cmake -DLAMMPS_DIR="/<>" -DGIT_EXECUTABLE="/usr/bin/git" -DGIT_FOUND="TRUE" -DLAMMPS_STYLE_HEADERS_DIR="/<>/debian/build/styles" -P /<>/cmake/Modules/generate_lmpgitversion.cmake -- Git Directory: /<>/.git -- Generating lmpgitversion.h... make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target gitversion make -f CMakeFiles/angle.h.dir/build.make CMakeFiles/angle.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/angle.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/angle.h.dir/build.make CMakeFiles/angle.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/angle.h /usr/bin/cmake -E copy_if_different /<>/src/angle.h /<>/debian/build/includes/lammps/angle.h make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target angle.h make -f CMakeFiles/atom.h.dir/build.make CMakeFiles/atom.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/atom.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/atom.h.dir/build.make CMakeFiles/atom.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/atom.h /usr/bin/cmake -E copy_if_different /<>/src/atom.h /<>/debian/build/includes/lammps/atom.h make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target atom.h make -f CMakeFiles/bond.h.dir/build.make CMakeFiles/bond.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/bond.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/bond.h.dir/build.make CMakeFiles/bond.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/bond.h /usr/bin/cmake -E copy_if_different /<>/src/bond.h /<>/debian/build/includes/lammps/bond.h make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target bond.h make -f CMakeFiles/citeme.h.dir/build.make CMakeFiles/citeme.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/citeme.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/citeme.h.dir/build.make CMakeFiles/citeme.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/citeme.h /usr/bin/cmake -E copy_if_different /<>/src/citeme.h /<>/debian/build/includes/lammps/citeme.h make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target citeme.h make -f CMakeFiles/comm.h.dir/build.make CMakeFiles/comm.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/comm.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/comm.h.dir/build.make CMakeFiles/comm.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/comm.h /usr/bin/cmake -E copy_if_different /<>/src/comm.h /<>/debian/build/includes/lammps/comm.h make[3]: Leaving directory '/<>/debian/build' [ 0%] Building CXX object CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd.cpp.o /usr/bin/c++ -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd.cpp.o -MF CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd.cpp.o.d -o CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd.cpp.o -c /<>/lib/awpmd/systems/interact/TCP/wpmd.cpp [ 0%] Built target comm.h make -f CMakeFiles/command.h.dir/build.make CMakeFiles/command.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/command.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/command.h.dir/build.make CMakeFiles/command.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/command.h /usr/bin/cmake -E copy_if_different /<>/src/command.h /<>/debian/build/includes/lammps/command.h make[3]: Leaving directory '/<>/debian/build' [ 0%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/body23joint.cpp.o [ 0%] Built target command.h /usr/bin/c++ -I/<>/lib/poems -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/body23joint.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/body23joint.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/body23joint.cpp.o -c /<>/lib/poems/body23joint.cpp make -f CMakeFiles/compute.h.dir/build.make CMakeFiles/compute.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/compute.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/compute.h.dir/build.make CMakeFiles/compute.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/compute.h /usr/bin/cmake -E copy_if_different /<>/src/compute.h /<>/debian/build/includes/lammps/compute.h make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target compute.h make -f CMakeFiles/dihedral.h.dir/build.make CMakeFiles/dihedral.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/dihedral.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/dihedral.h.dir/build.make CMakeFiles/dihedral.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/dihedral.h /usr/bin/cmake -E copy_if_different /<>/src/dihedral.h /<>/debian/build/includes/lammps/dihedral.h make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target dihedral.h make -f CMakeFiles/domain.h.dir/build.make CMakeFiles/domain.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/domain.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/domain.h.dir/build.make CMakeFiles/domain.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/domain.h /usr/bin/cmake -E copy_if_different /<>/src/domain.h /<>/debian/build/includes/lammps/domain.h make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target domain.h make -f CMakeFiles/error.h.dir/build.make CMakeFiles/error.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/error.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/error.h.dir/build.make CMakeFiles/error.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 0%] Generating includes/lammps/error.h /usr/bin/cmake -E copy_if_different /<>/src/error.h /<>/debian/build/includes/lammps/error.h make[3]: Leaving directory '/<>/debian/build' [ 0%] Built target error.h make -f CMakeFiles/exceptions.h.dir/build.make CMakeFiles/exceptions.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/exceptions.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/exceptions.h.dir/build.make CMakeFiles/exceptions.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 1%] Generating includes/lammps/exceptions.h /usr/bin/cmake -E copy_if_different /<>/src/exceptions.h /<>/debian/build/includes/lammps/exceptions.h make[3]: Leaving directory '/<>/debian/build' [ 1%] Built target exceptions.h make -f CMakeFiles/fix.h.dir/build.make CMakeFiles/fix.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/fix.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/fix.h.dir/build.make CMakeFiles/fix.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 1%] Generating includes/lammps/fix.h /usr/bin/cmake -E copy_if_different /<>/src/fix.h /<>/debian/build/includes/lammps/fix.h make[3]: Leaving directory '/<>/debian/build' [ 1%] Built target fix.h make -f CMakeFiles/force.h.dir/build.make CMakeFiles/force.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/force.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/force.h.dir/build.make CMakeFiles/force.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 1%] Generating includes/lammps/force.h /usr/bin/cmake -E copy_if_different /<>/src/force.h /<>/debian/build/includes/lammps/force.h make[3]: Leaving directory '/<>/debian/build' [ 1%] Built target force.h make -f CMakeFiles/group.h.dir/build.make CMakeFiles/group.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/group.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/group.h.dir/build.make CMakeFiles/group.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 1%] Generating includes/lammps/group.h /usr/bin/cmake -E copy_if_different /<>/src/group.h /<>/debian/build/includes/lammps/group.h make[3]: Leaving directory '/<>/debian/build' [ 1%] Built target group.h make -f CMakeFiles/improper.h.dir/build.make CMakeFiles/improper.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/improper.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/improper.h.dir/build.make CMakeFiles/improper.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 1%] Generating includes/lammps/improper.h /usr/bin/cmake -E copy_if_different /<>/src/improper.h /<>/debian/build/includes/lammps/improper.h make[3]: Leaving directory '/<>/debian/build' [ 1%] Built target improper.h make -f CMakeFiles/input.h.dir/build.make CMakeFiles/input.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/input.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/input.h.dir/build.make CMakeFiles/input.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 1%] Generating includes/lammps/input.h /usr/bin/cmake -E copy_if_different /<>/src/input.h /<>/debian/build/includes/lammps/input.h make[3]: Leaving directory '/<>/debian/build' [ 1%] Built target input.h make -f CMakeFiles/info.h.dir/build.make CMakeFiles/info.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/info.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/info.h.dir/build.make CMakeFiles/info.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 2%] Generating includes/lammps/info.h /usr/bin/cmake -E copy_if_different /<>/src/info.h /<>/debian/build/includes/lammps/info.h make[3]: Leaving directory '/<>/debian/build' [ 2%] Built target info.h make -f CMakeFiles/kspace.h.dir/build.make CMakeFiles/kspace.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/kspace.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/kspace.h.dir/build.make CMakeFiles/kspace.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 2%] Generating includes/lammps/kspace.h /usr/bin/cmake -E copy_if_different /<>/src/kspace.h /<>/debian/build/includes/lammps/kspace.h make[3]: Leaving directory '/<>/debian/build' [ 2%] Built target kspace.h make -f CMakeFiles/lammps.h.dir/build.make CMakeFiles/lammps.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/lammps.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/lammps.h.dir/build.make CMakeFiles/lammps.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 2%] Generating includes/lammps/lammps.h /usr/bin/cmake -E copy_if_different /<>/src/lammps.h /<>/debian/build/includes/lammps/lammps.h make[3]: Leaving directory '/<>/debian/build' [ 2%] Built target lammps.h make -f CMakeFiles/lattice.h.dir/build.make CMakeFiles/lattice.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/lattice.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/lattice.h.dir/build.make CMakeFiles/lattice.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 2%] Generating includes/lammps/lattice.h /usr/bin/cmake -E copy_if_different /<>/src/lattice.h /<>/debian/build/includes/lammps/lattice.h make[3]: Leaving directory '/<>/debian/build' [ 2%] Built target lattice.h make -f CMakeFiles/library.h.dir/build.make CMakeFiles/library.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/library.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/library.h.dir/build.make CMakeFiles/library.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 2%] Generating includes/lammps/library.h /usr/bin/cmake -E copy_if_different /<>/src/library.h /<>/debian/build/includes/lammps/library.h make[3]: Leaving directory '/<>/debian/build' [ 2%] Built target library.h make -f CMakeFiles/lmppython.h.dir/build.make CMakeFiles/lmppython.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/lmppython.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/lmppython.h.dir/build.make CMakeFiles/lmppython.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 2%] Generating includes/lammps/lmppython.h /usr/bin/cmake -E copy_if_different /<>/src/lmppython.h /<>/debian/build/includes/lammps/lmppython.h make[3]: Leaving directory '/<>/debian/build' [ 2%] Built target lmppython.h make -f CMakeFiles/lmptype.h.dir/build.make CMakeFiles/lmptype.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/lmptype.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/lmptype.h.dir/build.make CMakeFiles/lmptype.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 2%] Generating includes/lammps/lmptype.h /usr/bin/cmake -E copy_if_different /<>/src/lmptype.h /<>/debian/build/includes/lammps/lmptype.h make[3]: Leaving directory '/<>/debian/build' [ 2%] Built target lmptype.h make -f CMakeFiles/memory.h.dir/build.make CMakeFiles/memory.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/memory.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/memory.h.dir/build.make CMakeFiles/memory.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 2%] Generating includes/lammps/memory.h /usr/bin/cmake -E copy_if_different /<>/src/memory.h /<>/debian/build/includes/lammps/memory.h make[3]: Leaving directory '/<>/debian/build' [ 2%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/colmatmap.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/colmatmap.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/colmatmap.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/colmatmap.cpp.o -c /<>/lib/poems/colmatmap.cpp [ 2%] Built target memory.h make -f CMakeFiles/modify.h.dir/build.make CMakeFiles/modify.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/modify.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/modify.h.dir/build.make CMakeFiles/modify.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 2%] Generating includes/lammps/modify.h /usr/bin/cmake -E copy_if_different /<>/src/modify.h /<>/debian/build/includes/lammps/modify.h make[3]: Leaving directory '/<>/debian/build' [ 2%] Built target modify.h make -f CMakeFiles/neighbor.h.dir/build.make CMakeFiles/neighbor.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/neighbor.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/neighbor.h.dir/build.make CMakeFiles/neighbor.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 2%] Generating includes/lammps/neighbor.h /usr/bin/cmake -E copy_if_different /<>/src/neighbor.h /<>/debian/build/includes/lammps/neighbor.h make[3]: Leaving directory '/<>/debian/build' [ 2%] Built target neighbor.h make -f CMakeFiles/neigh_list.h.dir/build.make 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make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/output.h.dir/build.make CMakeFiles/output.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 3%] Generating includes/lammps/output.h /usr/bin/cmake -E copy_if_different /<>/src/output.h /<>/debian/build/includes/lammps/output.h make[3]: Leaving directory '/<>/debian/build' [ 3%] Built target output.h make -f CMakeFiles/pair.h.dir/build.make CMakeFiles/pair.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/pair.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/pair.h.dir/build.make CMakeFiles/pair.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 3%] Generating includes/lammps/pair.h /usr/bin/cmake -E copy_if_different /<>/src/pair.h /<>/debian/build/includes/lammps/pair.h make[3]: Leaving directory '/<>/debian/build' [ 3%] Built target pair.h make -f CMakeFiles/platform.h.dir/build.make CMakeFiles/platform.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/platform.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/platform.h.dir/build.make CMakeFiles/platform.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 3%] Generating includes/lammps/platform.h /usr/bin/cmake -E copy_if_different /<>/src/platform.h /<>/debian/build/includes/lammps/platform.h make[3]: Leaving directory '/<>/debian/build' [ 3%] Built target platform.h make -f CMakeFiles/pointers.h.dir/build.make CMakeFiles/pointers.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/pointers.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/pointers.h.dir/build.make CMakeFiles/pointers.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 3%] Generating includes/lammps/pointers.h /usr/bin/cmake -E copy_if_different /<>/src/pointers.h /<>/debian/build/includes/lammps/pointers.h make[3]: Leaving directory '/<>/debian/build' [ 3%] Built target pointers.h make -f CMakeFiles/region.h.dir/build.make CMakeFiles/region.h.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/region.h.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/region.h.dir/build.make CMakeFiles/region.h.dir/build make[3]: Entering directory '/<>/debian/build' [ 3%] Generating includes/lammps/region.h 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CMakeFiles/poems.dir/<>/lib/poems/fastmatrixops.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/fastmatrixops.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/fastmatrixops.cpp.o -c /<>/lib/poems/fastmatrixops.cpp [ 4%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/fixedpoint.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/fixedpoint.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/fixedpoint.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/fixedpoint.cpp.o -c /<>/lib/poems/fixedpoint.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ATC_Method.h:5, from /<>/lib/atc/ATC_Coupling.h:10, from /<>/lib/atc/ATC_Coupling.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 4%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/freebodyjoint.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/freebodyjoint.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/freebodyjoint.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/freebodyjoint.cpp.o -c /<>/lib/poems/freebodyjoint.cpp [ 5%] Building CXX object CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd_split.cpp.o /usr/bin/c++ -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd_split.cpp.o -MF CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd_split.cpp.o.d -o CMakeFiles/awpmd.dir/<>/lib/awpmd/systems/interact/TCP/wpmd_split.cpp.o -c /<>/lib/awpmd/systems/interact/TCP/wpmd_split.cpp [ 6%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/inertialframe.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection 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/<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ATC_Method.h:5, from /<>/lib/atc/ATC_Coupling.h:10, from /<>/lib/atc/ATC_CouplingEnergy.h:5, from /<>/lib/atc/ATC_CouplingEnergy.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 6%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/mat3x3.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/mat3x3.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/mat3x3.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/mat3x3.cpp.o -c 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Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_Method.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ATC_Method.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ATC_Method.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ATC_Method.cpp.o -c /<>/lib/atc/ATC_Method.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ATC_Method.h:5, from /<>/lib/atc/ATC_Coupling.h:10, from /<>/lib/atc/ATC_CouplingMomentum.h:7, from /<>/lib/atc/ATC_CouplingMomentum.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 7%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/vect3.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/poems.dir/<>/lib/poems/vect3.cpp.o -MF CMakeFiles/poems.dir/<>/lib/poems/vect3.cpp.o.d -o CMakeFiles/poems.dir/<>/lib/poems/vect3.cpp.o -c /<>/lib/poems/vect3.cpp [ 7%] Building CXX object CMakeFiles/poems.dir/<>/lib/poems/vect4.cpp.o /usr/bin/c++ -I/<>/lib/poems -g -O2 -fno-omit-frame-pointer 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"CMakeFiles/poems.dir/<>/lib/poems/vect6.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/virtualcolmatrix.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/virtualmatrix.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/virtualrowmatrix.cpp.o" "CMakeFiles/poems.dir/<>/lib/poems/workspace.cpp.o" /usr/bin/ranlib liblammps_poems.a make[3]: Leaving directory '/<>/debian/build' [ 8%] Built target poems [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ATC_TransferKernel.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC 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CMakeFiles/atc.dir/<>/lib/atc/ATC_TransferPartitionOfUnity.cpp.o -c /<>/lib/atc/ATC_TransferPartitionOfUnity.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ATC_Method.h:5, from /<>/lib/atc/ATC_Transfer.h:6, from /<>/lib/atc/ATC_Transfer.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/AtomToMoleculeTransfer.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/AtomToMoleculeTransfer.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/AtomToMoleculeTransfer.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/AtomToMoleculeTransfer.cpp.o -c /<>/lib/atc/AtomToMoleculeTransfer.cpp [ 8%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/AtomicRegulator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/AtomicRegulator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/AtomicRegulator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/AtomicRegulator.cpp.o -c /<>/lib/atc/AtomicRegulator.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/BodyForce.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/BodyForce.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/BodyForce.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/BodyForce.cpp.o -c /<>/lib/atc/BodyForce.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/CBLattice.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/CBLattice.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/CBLattice.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/CBLattice.cpp.o -c /<>/lib/atc/CBLattice.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/AtomicRegulator.h:6, from /<>/lib/atc/AtomicRegulator.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/CBLattice.h:7, from /<>/lib/atc/CBLattice.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/CauchyBorn.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/CauchyBorn.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/CauchyBorn.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/CauchyBorn.cpp.o -c /<>/lib/atc/CauchyBorn.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/CbPotential.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/CbPotential.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/CbPotential.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/CbPotential.cpp.o -c /<>/lib/atc/CbPotential.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ChargeRegulator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ChargeRegulator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ChargeRegulator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ChargeRegulator.cpp.o -c /<>/lib/atc/ChargeRegulator.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ConcentrationRegulator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ConcentrationRegulator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ConcentrationRegulator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ConcentrationRegulator.cpp.o -c /<>/lib/atc/ConcentrationRegulator.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/CauchyBorn.h:4, from /<>/lib/atc/CauchyBorn.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElasticTimeIntegrator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElasticTimeIntegrator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElasticTimeIntegrator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElasticTimeIntegrator.cpp.o -c /<>/lib/atc/ElasticTimeIntegrator.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronChargeDensity.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronChargeDensity.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronChargeDensity.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronChargeDensity.cpp.o -c /<>/lib/atc/ElectronChargeDensity.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronDragPower.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronDragPower.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronDragPower.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronDragPower.cpp.o -c /<>/lib/atc/ElectronDragPower.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronFlux.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronFlux.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronFlux.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronFlux.cpp.o -c /<>/lib/atc/ElectronFlux.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ElectronFlux.h:6, from /<>/lib/atc/ElectronFlux.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatCapacity.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatCapacity.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatCapacity.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatCapacity.cpp.o -c /<>/lib/atc/ElectronHeatCapacity.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatFlux.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatFlux.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatFlux.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronHeatFlux.cpp.o -c /<>/lib/atc/ElectronHeatFlux.cpp [ 9%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ElectronPhononExchange.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ElectronPhononExchange.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ElectronPhononExchange.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ElectronPhononExchange.cpp.o -c /<>/lib/atc/ElectronPhononExchange.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModel.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModel.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModel.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModel.cpp.o -c /<>/lib/atc/ExtrinsicModel.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp.o -c /<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelElectrostatic.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelElectrostatic.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelElectrostatic.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelElectrostatic.cpp.o -c /<>/lib/atc/ExtrinsicModelElectrostatic.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelTwoTemperature.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelTwoTemperature.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelTwoTemperature.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ExtrinsicModelTwoTemperature.cpp.o -c /<>/lib/atc/ExtrinsicModelTwoTemperature.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FE_Element.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FE_Element.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FE_Element.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FE_Element.cpp.o -c /<>/lib/atc/FE_Element.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ExtrinsicModel.h:8, from /<>/lib/atc/ExtrinsicModelTwoTemperature.h:6, from /<>/lib/atc/ExtrinsicModelDriftDiffusion.h:8, from /<>/lib/atc/ExtrinsicModelDriftDiffusion.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/FE_Mesh.h:6, from /<>/lib/atc/FE_Element.cpp:3: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ExtrinsicModel.h:8, from /<>/lib/atc/ExtrinsicModelTwoTemperature.h:6, from /<>/lib/atc/ExtrinsicModelTwoTemperature.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/ExtrinsicModel.h:8, from /<>/lib/atc/ExtrinsicModelElectrostatic.h:7, from /<>/lib/atc/ExtrinsicModelElectrostatic.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FE_Engine.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FE_Engine.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FE_Engine.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FE_Engine.cpp.o -c /<>/lib/atc/FE_Engine.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FE_Interpolate.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FE_Interpolate.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FE_Interpolate.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FE_Interpolate.cpp.o -c /<>/lib/atc/FE_Interpolate.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FE_Mesh.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FE_Mesh.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FE_Mesh.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FE_Mesh.cpp.o -c /<>/lib/atc/FE_Mesh.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/FE_Element.h:8, from /<>/lib/atc/FE_Interpolate.cpp:3: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FieldEulerIntegrator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FieldEulerIntegrator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FieldEulerIntegrator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FieldEulerIntegrator.cpp.o -c /<>/lib/atc/FieldEulerIntegrator.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/FE_Engine.h:9, from /<>/lib/atc/FE_Engine.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/FE_Element.h:8, from /<>/lib/atc/FE_Mesh.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FieldManager.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FieldManager.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FieldManager.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FieldManager.cpp.o -c /<>/lib/atc/FieldManager.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/FieldEulerIntegrator.h:6, from /<>/lib/atc/FieldEulerIntegrator.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Function.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Function.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Function.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Function.cpp.o -c /<>/lib/atc/Function.cpp [ 10%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/FundamentalAtomicQuantity.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/FundamentalAtomicQuantity.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/FundamentalAtomicQuantity.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/FundamentalAtomicQuantity.cpp.o -c /<>/lib/atc/FundamentalAtomicQuantity.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/GhostManager.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/GhostManager.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/GhostManager.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/GhostManager.cpp.o -c /<>/lib/atc/GhostManager.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ImplicitSolveOperator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ImplicitSolveOperator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ImplicitSolveOperator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ImplicitSolveOperator.cpp.o -c /<>/lib/atc/ImplicitSolveOperator.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/InterscaleOperators.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/InterscaleOperators.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/InterscaleOperators.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/InterscaleOperators.cpp.o -c /<>/lib/atc/InterscaleOperators.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/KD_Tree.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/KD_Tree.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/KD_Tree.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/KD_Tree.cpp.o -c /<>/lib/atc/KD_Tree.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/KernelFunction.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/KernelFunction.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/KernelFunction.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/KernelFunction.cpp.o -c /<>/lib/atc/KernelFunction.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ImplicitSolveOperator.h:6, from /<>/lib/atc/ImplicitSolveOperator.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/KinetoThermostat.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/KinetoThermostat.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/KinetoThermostat.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/KinetoThermostat.cpp.o -c /<>/lib/atc/KinetoThermostat.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Kinetostat.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Kinetostat.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Kinetostat.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Kinetostat.cpp.o -c /<>/lib/atc/Kinetostat.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/LammpsInterface.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/LammpsInterface.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/LammpsInterface.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/LammpsInterface.cpp.o -c /<>/lib/atc/LammpsInterface.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/AtomicRegulator.h:6, from /<>/lib/atc/KinetoThermostat.h:4, from /<>/lib/atc/KinetoThermostat.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/LinearSolver.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/LinearSolver.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/LinearSolver.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/LinearSolver.cpp.o -c /<>/lib/atc/LinearSolver.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/LammpsInterface.h:25, from /<>/lib/atc/LammpsInterface.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/MPI_Wrappers.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/MPI_Wrappers.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/MPI_Wrappers.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/MPI_Wrappers.cpp.o -c /<>/lib/atc/MPI_Wrappers.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Material.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Material.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Material.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Material.cpp.o -c /<>/lib/atc/Material.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Matrix.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Matrix.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Matrix.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Matrix.cpp.o -c /<>/lib/atc/Matrix.cpp [ 11%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/MeshReader.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/MeshReader.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/MeshReader.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/MeshReader.cpp.o -c /<>/lib/atc/MeshReader.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/MoleculeSet.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/MoleculeSet.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/MoleculeSet.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/MoleculeSet.cpp.o -c /<>/lib/atc/MoleculeSet.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/Material.h:7, from /<>/lib/atc/Material.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/NonLinearSolver.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/NonLinearSolver.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/NonLinearSolver.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/NonLinearSolver.cpp.o -c /<>/lib/atc/NonLinearSolver.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/OutputManager.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/OutputManager.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/OutputManager.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/OutputManager.cpp.o -c /<>/lib/atc/OutputManager.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PaqAtcUtility.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PaqAtcUtility.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PaqAtcUtility.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PaqAtcUtility.cpp.o -c /<>/lib/atc/PaqAtcUtility.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ParDiagonalMatrix.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ParDiagonalMatrix.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ParDiagonalMatrix.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ParDiagonalMatrix.cpp.o -c /<>/lib/atc/ParDiagonalMatrix.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ParSparseMatrix.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ParSparseMatrix.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ParSparseMatrix.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ParSparseMatrix.cpp.o -c /<>/lib/atc/ParSparseMatrix.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PerAtomQuantityLibrary.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PerAtomQuantityLibrary.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PerAtomQuantityLibrary.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PerAtomQuantityLibrary.cpp.o -c /<>/lib/atc/PerAtomQuantityLibrary.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PerPairQuantity.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PerPairQuantity.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PerPairQuantity.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PerPairQuantity.cpp.o -c /<>/lib/atc/PerPairQuantity.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PhysicsModel.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PhysicsModel.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PhysicsModel.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PhysicsModel.cpp.o -c /<>/lib/atc/PhysicsModel.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PoissonSolver.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PoissonSolver.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PoissonSolver.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PoissonSolver.cpp.o -c /<>/lib/atc/PoissonSolver.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/LammpsInterface.h:25, from /<>/lib/atc/PerAtomQuantity.h:7, from /<>/lib/atc/PerAtomQuantityLibrary.h:6, from /<>/lib/atc/PerAtomQuantityLibrary.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/LinearSolver.h:5, from /<>/lib/atc/PoissonSolver.h:6, from /<>/lib/atc/PoissonSolver.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/PhysicsModel.h:8, from /<>/lib/atc/PhysicsModel.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PolynomialSolver.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PolynomialSolver.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PolynomialSolver.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PolynomialSolver.cpp.o -c /<>/lib/atc/PolynomialSolver.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/PrescribedDataManager.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/PrescribedDataManager.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/PrescribedDataManager.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/PrescribedDataManager.cpp.o -c /<>/lib/atc/PrescribedDataManager.cpp [ 12%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Quadrature.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Quadrature.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Quadrature.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Quadrature.cpp.o -c /<>/lib/atc/Quadrature.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/SchrodingerSolver.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/SchrodingerSolver.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/SchrodingerSolver.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/SchrodingerSolver.cpp.o -c /<>/lib/atc/SchrodingerSolver.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/SpeciesTimeIntegrator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/SpeciesTimeIntegrator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/SpeciesTimeIntegrator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/SpeciesTimeIntegrator.cpp.o -c /<>/lib/atc/SpeciesTimeIntegrator.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Stress.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Stress.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Stress.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Stress.cpp.o -c /<>/lib/atc/Stress.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ThermalTimeIntegrator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ThermalTimeIntegrator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ThermalTimeIntegrator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ThermalTimeIntegrator.cpp.o -c /<>/lib/atc/ThermalTimeIntegrator.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Thermostat.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Thermostat.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Thermostat.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Thermostat.cpp.o -c /<>/lib/atc/Thermostat.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/Stress.h:8, from /<>/lib/atc/Stress.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/TimeFilter.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/TimeFilter.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/TimeFilter.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/TimeFilter.cpp.o -c /<>/lib/atc/TimeFilter.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/AtomicRegulator.h:6, from /<>/lib/atc/Thermostat.h:4, from /<>/lib/atc/Thermostat.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/TimeIntegrator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/TimeIntegrator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/TimeIntegrator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/TimeIntegrator.cpp.o -c /<>/lib/atc/TimeIntegrator.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/TransferLibrary.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/TransferLibrary.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/TransferLibrary.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/TransferLibrary.cpp.o -c /<>/lib/atc/TransferLibrary.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/TransferOperator.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/TransferOperator.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/TransferOperator.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/TransferOperator.cpp.o -c /<>/lib/atc/TransferOperator.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/Vector.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/Vector.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/Vector.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/Vector.cpp.o -c /<>/lib/atc/Vector.cpp [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/ViscousStress.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/ViscousStress.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/ViscousStress.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/ViscousStress.cpp.o -c /<>/lib/atc/ViscousStress.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/LammpsInterface.h:25, from /<>/lib/atc/PerAtomQuantity.h:7, from /<>/lib/atc/PerAtomQuantityLibrary.h:6, from /<>/lib/atc/TransferOperator.h:6, from /<>/lib/atc/TransferOperator.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ViscousStress.h:8, from /<>/lib/atc/ViscousStress.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 13%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationChargeDiffusion.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationChargeDiffusion.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationChargeDiffusion.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationChargeDiffusion.cpp.o -c /<>/lib/atc/WeakEquationChargeDiffusion.cpp [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationDiffusion.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationDiffusion.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationDiffusion.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationDiffusion.cpp.o -c /<>/lib/atc/WeakEquationDiffusion.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/LammpsInterface.h:25, from /<>/lib/atc/PerAtomQuantity.h:7, from /<>/lib/atc/PerAtomQuantityLibrary.h:6, from /<>/lib/atc/TransferOperator.h:6, from /<>/lib/atc/TransferLibrary.h:11, from /<>/lib/atc/TransferLibrary.cpp:2: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronContinuity.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronContinuity.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronContinuity.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronContinuity.cpp.o -c /<>/lib/atc/WeakEquationElectronContinuity.cpp [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronMomentum.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronMomentum.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronMomentum.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronMomentum.cpp.o -c /<>/lib/atc/WeakEquationElectronMomentum.cpp [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationElectronTemperature.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 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CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMassDiffusion.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMassDiffusion.cpp.o -c /<>/lib/atc/WeakEquationMassDiffusion.cpp In file included from /<>/lib/atc/MatrixLibrary.h:7, from /<>/lib/atc/ATC_TypeDefs.h:17, from /<>/lib/atc/WeakEquation.h:7, from /<>/lib/atc/WeakEquationElectronMomentum.h:7, from /<>/lib/atc/WeakEquationElectronMomentum.cpp:1: /<>/lib/atc/CloneVector.h: In member function ‘ATC_matrix::CloneVector::operator[](int)’: /<>/lib/atc/CloneVector.h:117:19: warning: ‘this’ pointer is null [-Wnonnull] 117 | return (*_baseV)(i); | ~~~~~~~~~^~~ [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMomentum.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -MD -MT CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMomentum.cpp.o -MF CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMomentum.cpp.o.d -o CMakeFiles/atc.dir/<>/lib/atc/WeakEquationMomentum.cpp.o -c /<>/lib/atc/WeakEquationMomentum.cpp [ 14%] Building CXX object CMakeFiles/atc.dir/<>/lib/atc/WeakEquationPhononTemperature.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/lib/atc -I/<>/src -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection 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-I/<>/lib/poems -I/<>/lib/atc -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -I/<>/lib/h5md/include -I/usr/include/hdf5/serial -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -isystem /usr/include/python3.12 -isystem /usr/include/voro++ -isystem /usr/include/vtk-9.1 -isystem /usr/lib/x86_64-linux-gnu/kim-api/mod -isystem /usr/include/kim-api -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -fopenmp -MD -MT CMakeFiles/lammps.dir/<>/src/MEAM/pair_meam_ms.cpp.o -MF CMakeFiles/lammps.dir/<>/src/MEAM/pair_meam_ms.cpp.o.d -o CMakeFiles/lammps.dir/<>/src/MEAM/pair_meam_ms.cpp.o -c /<>/src/MEAM/pair_meam_ms.cpp [ 70%] Building CXX object CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_linalg.cpp.o /usr/bin/c++ -DFFT_FFTW3 -DFFT_FFTW_THREADS -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_MEMALIGN=64 -DLAMMPS_OMP_COMPAT=4 -DLAMMPS_PNG -DLAMMPS_SMALLBIG -DLAMMPS_VTK -DLAMMPS_ZSTD -DLMP_HAS_NETCDF -DLMP_HAS_PNETCDF -DLMP_KIM_CURL -DLMP_OPENMP -DLMP_PYTHON -DMPICH_SKIP_MPICXX -DNC_64BIT_DATA=0x0020 -DOMPI_SKIP_MPICXX -D_MPICC_H -Dkiss_fft_scalar=double -Dlammps_EXPORTS -I/<>/src -I/<>/src/ASPHERE -I/<>/src/ATC -I/<>/src/AWPMD -I/<>/src/BOCS -I/<>/src/BODY -I/<>/src/CG-DNA -I/<>/src/CG-SPICA -I/<>/src/CLASS2 -I/<>/src/COLLOID -I/<>/src/COMPRESS -I/<>/src/DIELECTRIC -I/<>/src/DIFFRACTION -I/<>/src/DIPOLE -I/<>/src/DPD-BASIC -I/<>/src/DRUDE -I/<>/src/EFF -I/<>/src/ELECTRODE -I/<>/src/EXTRA-PAIR -I/<>/src/FEP -I/<>/src/GRANULAR -I/<>/src/H5MD -I/<>/src/KIM -I/<>/src/KSPACE -I/<>/src/LATBOLTZ -I/<>/src/MANIFOLD -I/<>/src/MANYBODY -I/<>/src/MC -I/<>/src/MEAM -I/<>/src/MGPT -I/<>/src/MISC -I/<>/src/MOFFF -I/<>/src/MOLECULE -I/<>/src/MOLFILE -I/<>/src/NETCDF -I/<>/src/ORIENT -I/<>/src/PERI -I/<>/src/PHONON -I/<>/src/POEMS -I/<>/src/PYTHON -I/<>/src/QEQ -I/<>/src/QTB -I/<>/src/REPLICA -I/<>/src/RIGID -I/<>/src/SHOCK -I/<>/src/SMTBQ -I/<>/src/SPH -I/<>/src/SRD -I/<>/src/TALLY -I/<>/src/UEF -I/<>/src/VORONOI -I/<>/src/VTK -I/<>/src/CORESHELL -I/<>/src/OPENMP -I/<>/src/OPT -I/<>/debian/build/styles -I/<>/lib/molfile -I/<>/lib/poems -I/<>/lib/atc -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -I/<>/lib/h5md/include -I/usr/include/hdf5/serial -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -isystem /usr/include/python3.12 -isystem /usr/include/voro++ -isystem /usr/include/vtk-9.1 -isystem /usr/lib/x86_64-linux-gnu/kim-api/mod -isystem /usr/include/kim-api -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -fopenmp -MD -MT CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_linalg.cpp.o -MF CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_linalg.cpp.o.d -o CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_linalg.cpp.o -c /<>/src/MGPT/mgpt_linalg.cpp [ 70%] Building CXX object CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_readpot.cpp.o /usr/bin/c++ -DFFT_FFTW3 -DFFT_FFTW_THREADS -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_MEMALIGN=64 -DLAMMPS_OMP_COMPAT=4 -DLAMMPS_PNG -DLAMMPS_SMALLBIG -DLAMMPS_VTK -DLAMMPS_ZSTD -DLMP_HAS_NETCDF -DLMP_HAS_PNETCDF -DLMP_KIM_CURL -DLMP_OPENMP -DLMP_PYTHON -DMPICH_SKIP_MPICXX -DNC_64BIT_DATA=0x0020 -DOMPI_SKIP_MPICXX -D_MPICC_H -Dkiss_fft_scalar=double -Dlammps_EXPORTS -I/<>/src -I/<>/src/ASPHERE -I/<>/src/ATC -I/<>/src/AWPMD -I/<>/src/BOCS -I/<>/src/BODY -I/<>/src/CG-DNA -I/<>/src/CG-SPICA -I/<>/src/CLASS2 -I/<>/src/COLLOID -I/<>/src/COMPRESS -I/<>/src/DIELECTRIC -I/<>/src/DIFFRACTION -I/<>/src/DIPOLE -I/<>/src/DPD-BASIC -I/<>/src/DRUDE -I/<>/src/EFF -I/<>/src/ELECTRODE -I/<>/src/EXTRA-PAIR -I/<>/src/FEP -I/<>/src/GRANULAR -I/<>/src/H5MD -I/<>/src/KIM -I/<>/src/KSPACE -I/<>/src/LATBOLTZ -I/<>/src/MANIFOLD -I/<>/src/MANYBODY -I/<>/src/MC -I/<>/src/MEAM -I/<>/src/MGPT -I/<>/src/MISC -I/<>/src/MOFFF -I/<>/src/MOLECULE -I/<>/src/MOLFILE -I/<>/src/NETCDF -I/<>/src/ORIENT -I/<>/src/PERI -I/<>/src/PHONON -I/<>/src/POEMS -I/<>/src/PYTHON -I/<>/src/QEQ -I/<>/src/QTB -I/<>/src/REPLICA -I/<>/src/RIGID -I/<>/src/SHOCK -I/<>/src/SMTBQ -I/<>/src/SPH -I/<>/src/SRD -I/<>/src/TALLY -I/<>/src/UEF -I/<>/src/VORONOI -I/<>/src/VTK -I/<>/src/CORESHELL -I/<>/src/OPENMP -I/<>/src/OPT -I/<>/debian/build/styles -I/<>/lib/molfile -I/<>/lib/poems -I/<>/lib/atc -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -I/<>/lib/h5md/include -I/usr/include/hdf5/serial -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -isystem /usr/include/python3.12 -isystem /usr/include/voro++ -isystem /usr/include/vtk-9.1 -isystem /usr/lib/x86_64-linux-gnu/kim-api/mod -isystem /usr/include/kim-api -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -fopenmp -MD -MT CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_readpot.cpp.o -MF CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_readpot.cpp.o.d -o CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_readpot.cpp.o -c /<>/src/MGPT/mgpt_readpot.cpp /<>/src/MGPT/mgpt_readpot.cpp: In member function ‘void potdata::readpot(const char*, const char*, double)’: /<>/src/MGPT/mgpt_readpot.cpp:188:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 188 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:204:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 204 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:247:12: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 247 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:307:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 307 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:330:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 330 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:332:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 332 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:335:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 335 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:344:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 344 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:346:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 346 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:359:12: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 359 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp: In function ‘void getparmindata(const char*, int*, double*, double*, double*)’: /<>/src/MGPT/mgpt_readpot.cpp:110:10: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 110 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:120:12: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 120 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ /<>/src/MGPT/mgpt_readpot.cpp:124:12: warning: ignoring return value of ‘char* fgets(char*, int, FILE*)’ declared with attribute ‘warn_unused_result’ [-Wunused-result] 124 | fgets(line,sizeof(line),in); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~ [ 70%] Building CXX object CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_splinetab.cpp.o /usr/bin/c++ -DFFT_FFTW3 -DFFT_FFTW_THREADS -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_MEMALIGN=64 -DLAMMPS_OMP_COMPAT=4 -DLAMMPS_PNG -DLAMMPS_SMALLBIG -DLAMMPS_VTK -DLAMMPS_ZSTD -DLMP_HAS_NETCDF -DLMP_HAS_PNETCDF -DLMP_KIM_CURL -DLMP_OPENMP -DLMP_PYTHON -DMPICH_SKIP_MPICXX -DNC_64BIT_DATA=0x0020 -DOMPI_SKIP_MPICXX -D_MPICC_H -Dkiss_fft_scalar=double -Dlammps_EXPORTS -I/<>/src -I/<>/src/ASPHERE -I/<>/src/ATC -I/<>/src/AWPMD -I/<>/src/BOCS -I/<>/src/BODY -I/<>/src/CG-DNA -I/<>/src/CG-SPICA -I/<>/src/CLASS2 -I/<>/src/COLLOID -I/<>/src/COMPRESS -I/<>/src/DIELECTRIC -I/<>/src/DIFFRACTION -I/<>/src/DIPOLE -I/<>/src/DPD-BASIC -I/<>/src/DRUDE -I/<>/src/EFF -I/<>/src/ELECTRODE -I/<>/src/EXTRA-PAIR -I/<>/src/FEP -I/<>/src/GRANULAR -I/<>/src/H5MD -I/<>/src/KIM -I/<>/src/KSPACE -I/<>/src/LATBOLTZ -I/<>/src/MANIFOLD -I/<>/src/MANYBODY -I/<>/src/MC -I/<>/src/MEAM -I/<>/src/MGPT -I/<>/src/MISC -I/<>/src/MOFFF -I/<>/src/MOLECULE -I/<>/src/MOLFILE -I/<>/src/NETCDF -I/<>/src/ORIENT -I/<>/src/PERI -I/<>/src/PHONON -I/<>/src/POEMS -I/<>/src/PYTHON -I/<>/src/QEQ -I/<>/src/QTB -I/<>/src/REPLICA -I/<>/src/RIGID -I/<>/src/SHOCK -I/<>/src/SMTBQ -I/<>/src/SPH -I/<>/src/SRD -I/<>/src/TALLY -I/<>/src/UEF -I/<>/src/VORONOI -I/<>/src/VTK -I/<>/src/CORESHELL -I/<>/src/OPENMP -I/<>/src/OPT -I/<>/debian/build/styles -I/<>/lib/molfile -I/<>/lib/poems -I/<>/lib/atc -I/<>/lib/awpmd/systems/interact -I/<>/lib/awpmd/ivutils/include -I/<>/lib/h5md/include -I/usr/include/hdf5/serial -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -isystem /usr/include/python3.12 -isystem /usr/include/voro++ -isystem /usr/include/vtk-9.1 -isystem /usr/lib/x86_64-linux-gnu/kim-api/mod -isystem /usr/include/kim-api -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIC -fopenmp -MD -MT CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_splinetab.cpp.o -MF CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_splinetab.cpp.o.d -o CMakeFiles/lammps.dir/<>/src/MGPT/mgpt_splinetab.cpp.o -c /<>/src/MGPT/mgpt_splinetab.cpp [ 70%] Building CXX object CMakeFiles/lammps.dir/<>/src/MGPT/pair_mgpt.cpp.o /usr/bin/c++ -DFFT_FFTW3 -DFFT_FFTW_THREADS -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_MEMALIGN=64 -DLAMMPS_OMP_COMPAT=4 -DLAMMPS_PNG -DLAMMPS_SMALLBIG -DLAMMPS_VTK -DLAMMPS_ZSTD -DLMP_HAS_NETCDF -DLMP_HAS_PNETCDF -DLMP_KIM_CURL -DLMP_OPENMP -DLMP_PYTHON -DMPICH_SKIP_MPICXX -DNC_64BIT_DATA=0x0020 -DOMPI_SKIP_MPICXX -D_MPICC_H -Dkiss_fft_scalar=double -Dlammps_EXPORTS -I/<>/src -I/<>/src/ASPHERE -I/<>/src/ATC -I/<>/src/AWPMD -I/<>/src/BOCS -I/<>/src/BODY -I/<>/src/CG-DNA 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/usr/lib/x86_64-linux-gnu/libvtkIOXML-9.1.so.9.1.0 /usr/lib/x86_64-linux-gnu/libvtkIOXMLParser-9.1.so.9.1.0 /usr/lib/x86_64-linux-gnu/libvtkIOLegacy-9.1.so.9.1.0 /usr/lib/x86_64-linux-gnu/libvtkIOCore-9.1.so.9.1.0 /usr/lib/x86_64-linux-gnu/libvtkCommonExecutionModel-9.1.so.9.1.0 /usr/lib/x86_64-linux-gnu/libvtkCommonDataModel-9.1.so.9.1.0 /usr/lib/x86_64-linux-gnu/libvtkCommonTransforms-9.1.so.9.1.0 /usr/lib/x86_64-linux-gnu/libvtkCommonMath-9.1.so.9.1.0 /usr/lib/x86_64-linux-gnu/libvtkkissfft-9.1.so.9.1.0 /usr/lib/x86_64-linux-gnu/libvtkCommonCore-9.1.so.9.1.0 /usr/lib/x86_64-linux-gnu/libtbb.so.12.11 /usr/lib/x86_64-linux-gnu/libvtksys-9.1.so.9.1.0 -ldl /usr/lib/x86_64-linux-gnu/libzstd.so /usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi_cxx.so /usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/GMRES.h: In function ‘GMRES.constprop’: /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/GMRES.h:82:15: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h: In member function ‘operator=’: /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h:166:17: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h: In member function ‘resize’: /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h:136:19: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h:144:19: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h: In member function ‘resize’: /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h:136:19: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h:144:19: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h: In member function ‘operator=’: /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h:166:17: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h: In member function ‘operator=’: /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h:166:17: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h: In member function ‘__ct_base ’: /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h:96:16: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h: In member function ‘resize’: /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h:136:19: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/lib/atc/Array.h:144:19: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_meam_spline.cpp: In member function ‘allocate’: /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_meam_spline.cpp:352:42: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_meam_spline.cpp:353:28: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_polymorphic.cpp: In member function ‘read_file’: /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_polymorphic.cpp:598:48: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_polymorphic.cpp:599:56: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_polymorphic.cpp:627:46: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_polymorphic.cpp:628:54: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_bop.cpp: In member function ‘allocate’: /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_bop.cpp:318:45: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_bop.cpp:319:51: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_comb.cpp: In member function ‘init_style’: /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_comb.cpp:500:36: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_comb3.cpp: In member function ‘init_style’: /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_comb3.cpp:234:36: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_extep.cpp: In member function ‘init_style’: /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_extep.cpp:489:36: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_lcbop.cpp: In member function ‘init_style’: /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_lcbop.cpp:171:36: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/DRUDE/fix_drude.cpp: In member function ‘build_drudeid’: /usr/src/lammps-20240207+dfsg-1.1build2/src/DRUDE/fix_drude.cpp:111:44: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/neigh_list.cpp: In member function ‘setup_pages’: /usr/src/lammps-20240207+dfsg-1.1build2/src/neigh_list.cpp:184:34: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/neigh_list.cpp:189:42: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/fix_neigh_history.cpp: In member function ‘allocate_pages’: /usr/src/lammps-20240207+dfsg-1.1build2/src/fix_neigh_history.cpp:191:44: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/fix_neigh_history.cpp:192:44: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_airebo.cpp: In member function ‘init_style’: /usr/src/lammps-20240207+dfsg-1.1build2/src/MANYBODY/pair_airebo.cpp:253:36: warning: argument 1 value ‘18446744073709551615’ exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] /usr/include/c++/13/new:128:26: note: in a call to allocation function ‘operator new []’ declared here 128 | _GLIBCXX_NODISCARD void* operator new[](std::size_t) _GLIBCXX_THROW (std::bad_alloc) | ^ /usr/bin/cmake -E cmake_symlink_library liblammps.so.0 liblammps.so.0 liblammps.so make[3]: Leaving directory '/<>/debian/build' [100%] Built target lammps make -f CMakeFiles/lmp.dir/build.make CMakeFiles/lmp.dir/depend make[3]: Entering directory '/<>/debian/build' cd /<>/debian/build && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<>/cmake /<>/cmake /<>/debian/build /<>/debian/build /<>/debian/build/CMakeFiles/lmp.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/<>/debian/build' make -f CMakeFiles/lmp.dir/build.make CMakeFiles/lmp.dir/build make[3]: Entering directory '/<>/debian/build' [100%] Building CXX object CMakeFiles/lmp.dir/<>/src/main.cpp.o /usr/bin/c++ -DLAMMPS_SMALLBIG -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX -D_MPICC_H -I/<>/src -I/<>/debian/build/includes -isystem /usr/lib/x86_64-linux-gnu/openmpi/include -isystem /usr/lib/x86_64-linux-gnu/openmpi/include/openmpi -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -std=c++11 -fPIE -fopenmp -MD -MT CMakeFiles/lmp.dir/<>/src/main.cpp.o -MF CMakeFiles/lmp.dir/<>/src/main.cpp.o.d -o CMakeFiles/lmp.dir/<>/src/main.cpp.o -c /<>/src/main.cpp [100%] Linking CXX executable lmp /usr/bin/cmake -E cmake_link_script CMakeFiles/lmp.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -fno-omit-frame-pointer -mno-omit-leaf-frame-pointer -ffile-prefix-map=/<>=. -flto=auto -ffat-lto-objects -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -fdebug-prefix-map=/<>=/usr/src/lammps-20240207+dfsg-1.1build2 -Wdate-time -D_FORTIFY_SOURCE=3 -Wl,-Bsymbolic-functions -flto=auto -ffat-lto-objects -Wl,-z,relro "CMakeFiles/lmp.dir/<>/src/main.cpp.o" -o lmp -Wl,-rpath,/<>/debian/build:/usr/lib/x86_64-linux-gnu/openmpi/lib: liblammps.so.0 /usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi_cxx.so /usr/lib/x86_64-linux-gnu/openmpi/lib/libmpi.so /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a make[3]: Leaving directory '/<>/debian/build' [100%] Built target lmp make[2]: Leaving directory '/<>/debian/build' /usr/bin/cmake -E cmake_progress_start /<>/debian/build/CMakeFiles 0 make[1]: Leaving directory '/<>/debian/build' debian/rules execute_after_dh_auto_build-indep make[1]: Entering directory '/<>' if [ ! -d doc/html.orig ]; then mv doc/html doc/html.orig; fi /usr/bin/make -C doc html make[2]: Entering directory '/<>/doc' sed -e 's/@LAMMPS_SOURCE_DIR@/..\/..\/src/g' doxygen/Doxyfile.in > doxygen/Doxyfile warning: Tag 'OUTPUT_TEXT_DIRECTION' at line 11 of file 'Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" Doxygen version used: 1.9.8 Searching for include files... Searching for example files... Searching for images... Searching for dot files... Searching for msc files... Searching for dia files... Searching for files to exclude Searching INPUT for files to process... Reading and parsing tag files Parsing files Reading /<>/src/utils.cpp... Parsing file /<>/src/utils.cpp... Reading /<>/src/utils.h... Parsing file /<>/src/utils.h... Reading /<>/src/library.cpp... Parsing file /<>/src/library.cpp... Reading /<>/src/library.h... Parsing file /<>/src/library.h... Reading /<>/src/lammps.cpp... Parsing file /<>/src/lammps.cpp... Reading /<>/src/lammps.h... Parsing file /<>/src/lammps.h... Reading /<>/src/pointers.h... Parsing file /<>/src/pointers.h... Reading /<>/src/lmptype.h... Parsing file /<>/src/lmptype.h... Reading /<>/src/atom.cpp... Parsing file /<>/src/atom.cpp... Reading /<>/src/atom.h... Parsing file /<>/src/atom.h... Reading /<>/src/input.cpp... Parsing file /<>/src/input.cpp... Reading /<>/src/input.h... Parsing file /<>/src/input.h... Reading /<>/src/tokenizer.cpp... Parsing file /<>/src/tokenizer.cpp... Reading /<>/src/tokenizer.h... Parsing file /<>/src/tokenizer.h... Reading /<>/src/arg_info.cpp... Parsing file /<>/src/arg_info.cpp... Reading /<>/src/arg_info.h... Parsing file /<>/src/arg_info.h... Reading /<>/src/text_file_reader.cpp... Parsing file /<>/src/text_file_reader.cpp... Reading /<>/src/text_file_reader.h... Parsing file /<>/src/text_file_reader.h... Reading /<>/src/potential_file_reader.cpp... Parsing file /<>/src/potential_file_reader.cpp... Reading /<>/src/potential_file_reader.h... Parsing file /<>/src/potential_file_reader.h... Reading /<>/src/my_page.cpp... Parsing file /<>/src/my_page.cpp... Reading /<>/src/my_page.h... Parsing file /<>/src/my_page.h... Reading /<>/src/my_pool_chunk.cpp... Parsing file /<>/src/my_pool_chunk.cpp... Reading /<>/src/my_pool_chunk.h... Parsing file /<>/src/my_pool_chunk.h... Reading /<>/src/math_eigen.h... Parsing file /<>/src/math_eigen.h... Reading /<>/src/platform.h... Parsing file /<>/src/platform.h... Reading /<>/src/platform.cpp... Parsing file /<>/src/platform.cpp... Reading /<>/src/math_special.h... Parsing file /<>/src/math_special.h... Reading /<>/src/math_special.cpp... Parsing file /<>/src/math_special.cpp... Building macro definition list... Building group list... Building directory list... Building namespace list... Building file list... Building class list... Building concept list... Computing nesting relations for classes... Associating documentation with classes... Associating documentation with concepts... Associating documentation with modules... Building example list... Searching for enumerations... Searching for documented typedefs... Searching for members imported via using declarations... Searching for included using directives... Searching for documented variables... Building interface member list... Building member list... Searching for friends... Searching for documented defines... Computing class inheritance relations... Computing class usage relations... Flushing cached template relations that have become invalid... Computing class relations... Add enum values to enums... Searching for member function documentation... Creating members for template instances... Building page list... Search for main page... Computing page relations... Determining the scope of groups... Computing module relations... Sorting lists... Determining which enums are documented Computing member relations... Building full member lists recursively... Adding members to member groups. Computing member references... Inheriting documentation... Generating disk names... Adding source references... Adding xrefitems... Sorting member lists... Setting anonymous enum type... Computing dependencies between directories... Generating citations page... Counting members... Counting data structures... Resolving user defined references... Finding anchors and sections in the documentation... Transferring function references... Combining using relations... Adding members to index pages... Correcting members for VHDL... Computing tooltip texts... Generating style sheet... Generating search indices... Generating example documentation... Generating file sources... Generating code for file arg_info.h... Generating code for file atom.h... Generating code for file input.h... Generating code for file lammps.h... Generating code for file library.h... Generating code for file lmptype.h... Generating code for file math_eigen.h... Generating code for file math_special.h... Generating code for file my_page.h... Generating code for file my_pool_chunk.h... Generating code for file platform.h... Generating code for file pointers.h... Generating code for file potential_file_reader.h... Generating code for file text_file_reader.h... Generating code for file tokenizer.h... Generating code for file utils.h... Generating file documentation... Generating page documentation... Generating group documentation... Generating class documentation... Generating docs for compound compress_info... Generating concept documentation... Generating module documentation... Generating namespace documentation... Generating docs for compound LAMMPS_NS::Atom... Generating docs for compound LAMMPS_NS::Input... Generating docs for compound LAMMPS_NS::InvalidFloatException... Generating docs for compound LAMMPS_NS::InvalidIntegerException... Generating docs for compound LAMMPS_NS::LAMMPS... Generating docs for compound LAMMPS_NS::multitype... Generating docs for compound LAMMPS_NS::MyPage... Generating docs for compound LAMMPS_NS::MyPoolChunk... Generating docs for compound LAMMPS_NS::Pointers... Generating docs for compound LAMMPS_NS::TokenizerException... Generating docs for compound LAMMPS_NS::ubuf... Generating graph info page... Generating directory documentation... finalizing index lists... writing tag file... Generating XML output... Generating XML output for class LAMMPS_NS::ArgInfo Generating XML output for class LAMMPS_NS::Atom Generating XML output for class compress_info Generating XML output for class LAMMPS_NS::EOFException Generating XML output for class LAMMPS_NS::FileReaderException Generating XML output for class LAMMPS_NS::Atom::HashElem Generating XML output for class LAMMPS_NS::HyperOneCoeff Generating XML output for class LAMMPS_NS::Input Generating XML output for class LAMMPS_NS::InvalidFloatException Generating XML output for class LAMMPS_NS::InvalidIntegerException Generating XML output for class LAMMPS_NS::LAMMPS Generating XML output for class LAMMPS_NS::multitype Generating XML output for class LAMMPS_NS::MyPage Generating XML output for class LAMMPS_NS::MyPoolChunk Generating XML output for class LAMMPS_NS::package_styles_lists Generating XML output for class LAMMPS_NS::Atom::PerAtom Generating XML output for class LAMMPS_NS::Pointers Generating XML output for class LAMMPS_NS::PotentialFileReader Generating XML output for class regex_context_t Generating XML output for class regex_t Generating XML output for class LAMMPS_NS::TextFileReader Generating XML output for class LAMMPS_NS::Tokenizer Generating XML output for class LAMMPS_NS::TokenizerException Generating XML output for class LAMMPS_NS::ubuf Generating XML output for class udi_t Generating XML output for class LAMMPS_NS::ValueTokenizer Generating XML output for namespace LAMMPS_NS Generating XML output for namespace LAMMPS_NS::MathSpecial Generating XML output for namespace LAMMPS_NS::platform Generating XML output for namespace LAMMPS_NS::utils Generating XML output for namespace MathConst Generating XML output for namespace MathEigen Generating XML output for namespace std Generating XML output for file arg_info.cpp Generating XML output for file arg_info.h Generating XML output for file atom.cpp Generating XML output for file atom.h Generating XML output for file input.cpp Generating XML output for file input.h Generating XML output for file lammps.cpp Generating XML output for file lammps.h Generating XML output for file library.cpp Generating XML output for file library.h Generating XML output for file lmptype.h Generating XML output for file math_eigen.h Generating XML output for file math_special.cpp Generating XML output for file math_special.h Generating XML output for file my_page.cpp Generating XML output for file my_page.h Generating XML output for file my_pool_chunk.cpp Generating XML output for file my_pool_chunk.h Generating XML output for file platform.cpp Generating XML output for file platform.h Generating XML output for file pointers.h Generating XML output for file potential_file_reader.cpp Generating XML output for file potential_file_reader.h Generating XML output for file text_file_reader.cpp Generating XML output for file text_file_reader.h Generating XML output for file tokenizer.cpp Generating XML output for file tokenizer.h Generating XML output for file utils.cpp Generating XML output for file utils.h Generate XML output for dir /<>/src/ Running plantuml with JAVA... Running dot... type lookup cache used 7693/262144 hits=62872 misses=7925 symbol lookup cache used 5303/262144 hits=49970 misses=5303 finished... sed -e 's,@DOXYGEN_XML_DIR@,/<>/doc/doxygen/xml,g' \ -e 's,@LAMMPS_SOURCE_DIR@,/<>/doc/../src,g' \ -e 's,@LAMMPS_PYTHON_DIR@,/<>/doc/../python,g' \ -e 's,@LAMMPS_DOC_DIR@,/<>/doc,g' /<>/doc/utils/sphinx-config/conf.py.in > /<>/doc/utils/sphinx-config/conf.py WARNING: The directory '/sbuild-nonexistent/.cache/pip' or its parent directory is not owned or is not writable by the current user. The cache has been disabled. Check the permissions and owner of that directory. If executing pip with sudo, you should use sudo's -H flag. Obtaining file:///<>/lammps-20240207%2Bdfsg/doc/utils/converters Installing build dependencies: started Installing build dependencies: finished with status 'error' error: subprocess-exited-with-error × pip subprocess to install build dependencies did not run successfully. │ exit code: 1 ╰─> [8 lines of output] WARNING: The directory '/sbuild-nonexistent/.cache/pip' or its parent directory is not owned or is not writable by the current user. The cache has been disabled. Check the permissions and owner of that directory. If executing pip with sudo, you should use sudo's -H flag. WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProxyError('Cannot connect to proxy.', NewConnectionError(': Failed to establish a new connection: [Errno 111] Connection refused'))': /simple/setuptools/ WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProxyError('Cannot connect to proxy.', NewConnectionError(': Failed to establish a new connection: [Errno 111] Connection refused'))': /simple/setuptools/ WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProxyError('Cannot connect to proxy.', NewConnectionError(': Failed to establish a new connection: [Errno 111] Connection refused'))': /simple/setuptools/ WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProxyError('Cannot connect to proxy.', NewConnectionError(': Failed to establish a new connection: [Errno 111] Connection refused'))': /simple/setuptools/ WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'ProxyError('Cannot connect to proxy.', NewConnectionError(': Failed to establish a new connection: [Errno 111] Connection refused'))': /simple/setuptools/ ERROR: Could not find a version that satisfies the requirement setuptools>=40.8.0 (from versions: none) ERROR: No matching distribution found for setuptools>=40.8.0 [end of output] note: This error originates from a subprocess, and is likely not a problem with pip. error: subprocess-exited-with-error × pip subprocess to install build dependencies did not run successfully. │ exit code: 1 ╰─> See above for output. note: This error originates from a subprocess, and is likely not a problem with pip. make[3]: Entering directory '/<>/doc/graphviz' make[3]: Nothing to be done for 'all'. make[3]: Leaving directory '/<>/doc/graphviz' Running Sphinx v7.2.6 Initializing Spelling Checker 7.7.0 making output directory... done building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 987 source files that are out of date updating environment: [new config] 987 added, 0 changed, 0 removed reading sources... [ 5%] Bibliography .. Developer_updating reading sources... [ 10%] Developer_utils .. Howto_spherical reading sources... [ 14%] Howto_spins .. Modify_contribute reading sources... [ 19%] Modify_dump .. Speed_opt reading sources... [ 24%] Speed_packages .. atc_extrinsic_exchange reading sources... [ 29%] atc_fe_md_boundary .. atc_temperature_definition reading sources... [ 33%] atc_time_filter .. compute_angmom_chunk reading sources... [ 38%] compute_ave_sphere_atom .. compute_improper reading sources... [ 43%] compute_improper_local .. compute_smd_tlsph_num_neighs reading sources... [ 48%] compute_smd_tlsph_shape .. create_atoms reading sources... [ 52%] create_bonds .. fix_amoeba_bitorsion reading sources... [ 57%] fix_amoeba_pitorsion .. fix_freeze reading sources... [ 62%] fix_gcmc .. fix_nve reading sources... [ 67%] fix_nve_asphere .. fix_reaxff_bonds reading sources... [ 71%] fix_reaxff_species .. fix_wall_gran_region reading sources... [ 76%] fix_wall_piston .. neb_spin reading sources... [ 81%] neigh_modify .. pair_exp6_rx reading sources... [ 86%] pair_extep .. pair_momb reading sources... [ 90%] pair_morse .. pair_tersoff_zbl reading sources... [ 95%] pair_thole .. unfix reading sources... [100%] units .. write_restart WARNING: unknown directive or role name: f:func /<>/doc/src/Classes_lammps.rst:4: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func :4: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:1: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:4: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:43: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:64: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:64: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:254: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:module /<>/doc/src/Fortran.rst:257: ERROR: Unknown directive type "f:module". .. f:module:: LIBLAMMPS WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:259: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:currentmodule /<>/doc/src/Fortran.rst:262: ERROR: Unknown directive type "f:currentmodule". .. f:currentmodule:: None WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:264: ERROR: Unknown directive type "f:type". .. f:type:: lammps Derived type that is the general class of the Fortran interface. It holds a reference to the :cpp:class:`LAMMPS ` class instance to which any of the included calls are forwarded. :f handle: reference to the LAMMPS class :ftype handle: c_ptr :f style: derived type to access lammps style constants :ftype style: type(lammps_style) :f type: derived type to access lammps type constants :ftype type: type(lammps_type) :f dtype: derived type to access lammps data type constants :ftype dtype: type(lammps_dtype) :f close: :f:subr:`close` :ftype close: subroutine :f subroutine error: :f:subr:`error` :ftype error: subroutine :f file: :f:subr:`file` :ftype file: subroutine :f command: :f:subr:`command` :ftype command: subroutine :f commands_list: :f:subr:`commands_list` :ftype commands_list: subroutine :f commands_string: :f:subr:`commands_string` :ftype commands_string: subroutine :f get_natoms: :f:func:`get_natoms` :ftype get_natoms: function :f get_thermo: :f:func:`get_thermo` :ftype get_thermo: function :f last_thermo: :f:func:`last_thermo` :ftype last_thermo: function :f extract_box: :f:subr:`extract_box` :ftype extract_box: subroutine :f reset_box: :f:subr:`reset_box` :ftype reset_box: subroutine :f memory_usage: :f:subr:`memory_usage` :ftype memory_usage: subroutine :f get_mpi_comm: :f:func:`get_mpi_comm` :ftype get_mpi_comm: function :f extract_setting: :f:func:`extract_setting` :ftype extract_setting: function :f extract_global: :f:func:`extract_global` :ftype extract_global: function :f extract_atom: :f:func:`extract_atom` :ftype extract_atom: function :f extract_compute: :f:func:`extract_compute` :ftype extract_compute: function :f extract_fix: :f:func:`extract_fix` :ftype extract_fix: function :f extract_variable: :f:func:`extract_variable` :ftype extract_variable: function :f set_variable: :f:subr:`set_variable` :ftype set_variable: subroutine :f set_string_variable: :f:subr:`set_set_string_variable` :ftype set_string_variable: subroutine :f set_internal_variable: :f:subr:`set_internal_variable` :ftype set_internal_variable: subroutine :f gather_atoms: :f:subr:`gather_atoms` :ftype gather_atoms: subroutine :f gather_atoms_concat: :f:subr:`gather_atoms_concat` :ftype gather_atoms_concat: subroutine :f gather_atoms_subset: :f:subr:`gather_atoms_subset` :ftype gather_atoms_subset: subroutine :f scatter_atoms: :f:subr:`scatter_atoms` :ftype scatter_atoms: subroutine :f scatter_atoms_subset: :f:subr:`scatter_atoms_subset` :ftype scatter_atoms_subset: subroutine :f gather_bonds: :f:subr:`gather_bonds` :ftype gather_bonds: subroutine :f gather_angles: :f:subr:`gather_angles` :ftype gather_angles: subroutine :f gather_dihedrals: :f:subr:`gather_dihedrals` :ftype gather_dihedrals: subroutine :f gather_impropers: :f:subr:`gather_impropers` :ftype gather_impropers: subroutine :f gather: :f:subr:`gather` :ftype gather: subroutine :f gather_concat: :f:subr:`gather_concat` :ftype gather_concat: subroutine :f gather_subset: :f:subr:`gather_subset` :ftype gather_subset: subroutine :f scatter: :f:subr:`scatter` :ftype scatter: subroutine :f scatter_subset: :f:subr:`scatter_subset` :ftype scatter_subset: subroutine :f create_atoms: :f:subr:`create_atoms` :ftype create_atoms: subroutine :f find_pair_neighlist: :f:func:`find_pair_neighlist` :ftype find_pair_neighlist: function :f find_fix_neighlist: :f:func:`find_fix_neighlist` :ftype find_fix_neighlist: function :f find_compute_neighlist: :f:func:`find_compute_neighlist` :ftype find_compute_neighlist: function :f neighlist_num_elements: :f:func:`neighlist_num_elements` :ftype neighlist_num_elements: function :f neighlist_element_neighbors: :f:subr:`neighlist_element_neighbors` :ftype neighlist_element_neighbors: subroutine :f version: :f:func:`version` :ftype version: function :f get_os_info: :f:subr:`get_os_info` :ftype get_os_info: subroutine :f config_has_mpi_support: :f:func:`config_has_mpi_support` :ftype config_has_mpi_support: function :f config_has_gzip_support: :f:func:`config_has_gzip_support` :ftype config_has_gzip_support: function :f config_has_png_support: :f:func:`config_has_png_support` :ftype config_has_png_support: function :f config_has_jpeg_support: :f:func:`config_has_jpeg_support` :ftype config_has_jpeg_support: function :f config_has_ffmpeg_support: :f:func:`config_has_ffmpeg_support` :ftype config_has_ffmpeg_support: function :f config_has_exceptions: :f:func:`config_has_exceptions` :ftype config_has_exceptions: function :f config_has_package: :f:func:`config_has_package` :ftype config_has_package: function :f config_package_count: :f:func:`config_package_count` :ftype config_package_count: function :f config_package_name: :f:func:`config_package_name` :ftype config_package_name: function :f installed_packages: :f:subr:`installed_packages` :ftype installed_packages: subroutine :f config_accelerator: :f:func:`config_accelerator` :ftype config_accelerator: function :f has_gpu_device: :f:func:`has_gpu_device` :ftype has_gpu_device: function :f get_gpu_device_info: :f:subr:`get_gpu_device_info` :ftype get_gpu_device_info: subroutine :f has_style: :f:func:`has_style` :ftype has_style: function :f style_count: :f:func:`style_count` :ftype style_count: function :f style_name: :f:func:`style_name` :ftype style_name: function :f has_id: :f:func:`has_id` :ftype has_id: function :f id_count: :f:func:`id_count` :ftype id_count: function :f id_name: :f:subr:`id_name` :ftype id_name: subroutine :f plugin_count: :f:func:`plugin_count` :ftype plugin_count: function :f plugin_name: :f:subr:`plugin_name` :ftype plugin_count: subroutine :f encode_image_flags: :f:func:`encode_image_flags` :ftype encode_image_flags: function :f decode_image_flags: :f:subr:`decode_image_flags` :ftype decode_image_flags: subroutine :f set_fix_external_callback: :f:subr:`set_fix_external_callback` :ftype set_fix_external_callback: subroutine :f fix_external_get_force: :f:func:`fix_external_get_force` :ftype fix_external_get_force: function :f fix_external_set_energy_global: :f:subr:`fix_external_set_energy_global` :ftype fix_external_set_energy_global: subroutine :f fix_external_set_virial_global: :f:subr:`fix_external_set_virial_global` :ftype fix_external_set_virial_global: subroutine :f fix_external_set_energy_peratom: :f:subr:`fix_external_set_energy_peratom` :ftype fix_external_set_energy_peratom: subroutine :f fix_external_set_virial_peratom: :f:subr:`fix_external_set_virial_peratom` :ftype fix_external_set_virial_peratom: subroutine :f fix_external_set_vector_length: :f:subr:`fix_external_set_vector_length` :ftype fix_external_set_vector_length: subroutine :f fix_external_set_vector: :f:subr:`fix_external_set_vector` :ftype fix_external_set_vector: subroutine :f flush_buffers: :f:subr:`flush_buffers` :ftype flush_buffers: subroutine :f is_running: :f:func:`is_running` :ftype is_running: function :f force_timeout: :f:subr:`force_timeout` :ftype force_timeout: subroutine :f has_error: :f:func:`has_error` :ftype has_error: function :f get_last_error_message: :f:subr:`get_last_error_message` :ftype get_last_error_message: subroutine WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:441: ERROR: Unknown directive type "f:function". .. f:function:: lammps([args][,comm]) This is the constructor for the Fortran class and will forward the arguments to a call to either :cpp:func:`lammps_open_fortran` or :cpp:func:`lammps_open_no_mpi`. If the LAMMPS library has been compiled with MPI support, it will also initialize MPI, if it has not already been initialized before. The *args* argument with the list of command line parameters is optional and so it the *comm* argument with the MPI communicator. If *comm* is not provided, ``MPI_COMM_WORLD`` is assumed. For more details please see the documentation of :cpp:func:`lammps_open`. :o args: arguments as list of strings :otype args: character(len=\*),dimension(:),optional :o comm: MPI communicator :otype comm: integer,optional :to: :cpp:func:`lammps_open_fortran` :to: :cpp:func:`lammps_open_no_mpi` :r lammps: an instance of the :f:type:`lammps` derived type .. note:: The :f:mod:`MPI_F08` module, which defines Fortran 2008 bindings for MPI, is not directly supported by this interface due to the complexities of supporting both the :f:mod:`MPI_F08` and :f:mod:`MPI` modules at the same time. However, you should be able to use the ``MPI_VAL`` member of the ``MPI_comm`` derived type to access the integer value of the communicator, such as in .. code-block:: fortran PROGRAM testmpi USE LIBLAMMPS USE MPI_F08 TYPE(lammps) :: lmp lmp = lammps(comm=MPI_COMM_SELF%MPI_VAL) END PROGRAM testmpi WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:480: ERROR: Unknown directive type "f:type". .. f:type:: lammps_style This derived type is there to provide a convenient interface for the style constants used with :f:func:`extract_compute`, :f:func:`extract_fix`, and :f:func:`extract_variable`. Assuming your LAMMPS instance is called ``lmp``, these constants will be ``lmp%style%global``, ``lmp%style%atom``, and ``lmp%style%local``. These values are identical to the values described in :cpp:enum:`_LMP_STYLE_CONST` for the C library interface. :f integer(c_int) global: used to request global data :f integer(c_int) atom: used to request per-atom data :f integer(c_int) local: used to request local data WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:493: ERROR: Unknown directive type "f:type". .. f:type:: lammps_type This derived type is there to provide a convenient interface for the type constants used with :f:func:`extract_compute`, :f:func:`extract_fix`, and :f:func:`extract_variable`. Assuming your LAMMPS instance is called ``lmp``, these constants will be ``lmp%type%scalar``, ``lmp%type%vector``, and ``lmp%type%array``. These values are identical to the values described in :cpp:enum:`_LMP_TYPE_CONST` for the C library interface. :f integer(c_int) scalar: used to request scalars :f integer(c_int) vector: used to request vectors :f integer(c_int) array: used to request arrays (matrices) WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:506: ERROR: Unknown interpreted text role "f:type". WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:509: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: close([finalize]) This method will close down the LAMMPS instance through calling :cpp:func:`lammps_close`. If the *finalize* argument is present and has a value of ``.TRUE.``, then this subroutine also calls :cpp:func:`lammps_kokkos_finalize` and :cpp:func:`lammps_mpi_finalize`. :o finalize: shut down the MPI environment of the LAMMPS library if ``.TRUE.``. :otype finalize: logical,optional :to: :cpp:func:`lammps_close` :to: :cpp:func:`lammps_mpi_finalize` :to: :cpp:func:`lammps_kokkos_finalize` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:526: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: error(error_type, error_text) This method is a wrapper around the :cpp:func:`lammps_error` function and will dispatch an error through the LAMMPS Error class. .. versionadded:: 3Nov2022 :p error_type: constant to select which Error class function to call :ptype error_type: integer(c_int) :p character(len=\*) error_text: error message :to: :cpp:func:`lammps_error` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:540: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: file(filename) This method will call :cpp:func:`lammps_file` to have LAMMPS read and process commands from a file. :p character(len=\*) filename: name of file with LAMMPS commands :to: :cpp:func:`lammps_file` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:550: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: command(cmd) This method will call :cpp:func:`lammps_command` to have LAMMPS execute a single command. :p character(len=\*) cmd: single LAMMPS command :to: :cpp:func:`lammps_command` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:560: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: commands_list(cmds) This method will call :cpp:func:`lammps_commands_list` to have LAMMPS execute a list of input lines. :p character(len=\*) cmd [dimension(:)]: list of LAMMPS input lines :to: :cpp:func:`lammps_commands_list` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:570: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: commands_string(str) This method will call :cpp:func:`lammps_commands_string` to have LAMMPS execute a block of commands from a string. :p character(len=\*) str: LAMMPS input in string :to: :cpp:func:`lammps_commands_string` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:580: ERROR: Unknown directive type "f:function". .. f:function:: get_natoms() This function will call :cpp:func:`lammps_get_natoms` and return the number of atoms in the system. :to: :cpp:func:`lammps_get_natoms` :r real(c_double) natoms: number of atoms .. note:: If you would prefer to get the number of atoms in its native format (i.e., as a 32- or 64-bit integer, depending on how LAMMPS was compiled), this can be extracted with :f:func:`extract_global`. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:596: ERROR: Unknown directive type "f:function". .. f:function:: get_thermo(name) This function will call :cpp:func:`lammps_get_thermo` and return the value of the corresponding thermodynamic keyword. .. versionadded:: 3Nov2022 :p character(len=\*) name: string with the name of the thermo keyword :to: :cpp:func:`lammps_get_thermo` :r value [real(c_double)]: value of the requested thermo property or `0.0_c_double` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:609: ERROR: Unknown directive type "f:function". .. f:function:: last_thermo(what, index) This function will call :cpp:func:`lammps_last_thermo` and returns either a string or a pointer to a cached copy of LAMMPS last thermodynamic output, depending on the data requested through *what*. Note that *index* uses 1-based indexing to access thermo output columns. .. versionadded:: 15Jun2023 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data (with the exception of string data, which are copied and returned as ordinary Fortran strings). Pointers must be of the correct data type to point to said data (typically ``INTEGER(c_int)``, ``INTEGER(c_int64_t)``, or ``REAL(c_double)``). The pointer being associated with LAMMPS data is type-checked at run-time via an overloaded assignment operator. The pointers returned by this function point to temporary, read-only data that may be overwritten at any time, so their target values need to be copied to local storage if they are supposed to persist. For example, .. code-block:: fortran PROGRAM thermo USE LIBLAMMPS USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double, c_int64_t, c_int TYPE(lammps) :: lmp INTEGER(KIND=c_int64_t), POINTER :: ntimestep, bval REAL(KIND=c_double), POINTER :: dval INTEGER(KIND=c_int), POINTER :: nfield, typ, ival INTEGER(KIND=c_int) :: i CHARACTER(LEN=11) :: key lmp = lammps() CALL lmp%file('in.sysinit') ntimestep = lmp%last_thermo('step', 0) nfield = lmp%last_thermo('num', 0) PRINT*, 'Last thermo output on step: ', ntimestep, ' Number of fields: ', nfield DO i=1, nfield key = lmp%last_thermo('keyword',i) typ = lmp%last_thermo('type',i) IF (typ == lmp%dtype%i32) THEN ival = lmp%last_thermo('data',i) PRINT*, key, ':', ival ELSE IF (typ == lmp%dtype%i64) THEN bval = lmp%last_thermo('data',i) PRINT*, key, ':', bval ELSE IF (typ == lmp%dtype%r64) THEN dval = lmp%last_thermo('data',i) PRINT*, key, ':', dval END IF END DO CALL lmp%close(.TRUE.) END PROGRAM thermo would extract the last timestep where thermo output was done and the number of columns it printed. Then it loops over the columns to print out column header keywords and the corresponding data. .. note:: If :f:func:`last_thermo` returns a string, the string must have a length greater than or equal to the length of the string (not including the terminal ``NULL`` character) that LAMMPS returns. If the variable's length is too short, the string will be truncated. As usual in Fortran, strings are padded with spaces at the end. If you use an allocatable string, the string **must be allocated** prior to calling this function. :p character(len=\*) what: string with the name of the thermo keyword :p integer(c_int) index: 1-based column index :to: :cpp:func:`lammps_last_thermo` :r pointer [polymorphic]: pointer to LAMMPS data. The left-hand side of the assignment should be either a string (if expecting string data) or a C-compatible pointer (e.g., ``INTEGER(c_int), POINTER :: nlocal``) to the extracted property. .. warning:: Modifying the data in the location pointed to by the returned pointer may lead to inconsistent internal data and thus may cause failures, crashes, or bogus simulations. In general, it is much better to use a LAMMPS input command that sets or changes these parameters. Using an input command will take care of all side effects and necessary updates of settings derived from such settings. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:699: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: extract_box([boxlo][, boxhi][, xy][, yz][, xz][, pflags][, boxflag]) This subroutine will call :cpp:func:`lammps_extract_box`. All parameters are optional, though obviously at least one should be present. The parameters *pflags* and *boxflag* are stored in LAMMPS as integers, but should be declared as ``LOGICAL`` variables when calling from Fortran. .. versionadded:: 3Nov2022 :o real(c_double) boxlo [dimension(3),optional]: vector in which to store lower-bounds of simulation box :o real(c_double) boxhi [dimension(3),optional]: vector in which to store upper-bounds of simulation box :o real(c_double) xy [optional]: variable in which to store *xy* tilt factor :o real(c_double) yz [optional]: variable in which to store *yz* tilt factor :o real(c_double) xz [optional]: variable in which to store *xz* tilt factor :o pflags: vector in which to store periodicity flags (``.TRUE.`` means periodic in that dimension) :otype pflags: logical,dimension(3),optional :o boxflag: variable in which to store boolean denoting whether the box will change during a simulation (``.TRUE.`` means box will change) :otype boxflag: logical,optional :to: :cpp:func:`lammps_extract_box` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:741: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: reset_box(boxlo, boxhi, xy, yz, xz) This subroutine will call :cpp:func:`lammps_reset_box`. All parameters are required. .. versionadded:: 3Nov2022 :p real(c_double) boxlo [dimension(3)]: vector of three doubles containing the lower box boundary :p real(c_double) boxhi [dimension(3)]: vector of three doubles containing the upper box boundary :p real(c_double) xy: *x--y* tilt factor :p real(c_double) yz: *y--z* tilt factor :p real(c_double) xz: *x--z* tilt factor :to: :cpp:func:`lammps_reset_box` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:759: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: memory_usage(meminfo) This subroutine will call :cpp:func:`lammps_memory_usage` and store the result in the three-element array *meminfo*. .. versionadded:: 3Nov2022 :p real(c_double) meminfo [dimension(3)]: vector of three doubles in which to store memory usage data :to: :cpp:func:`lammps_memory_usage` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:772: ERROR: Unknown directive type "f:function". .. f:function:: get_mpi_comm() This function returns a Fortran representation of the LAMMPS "world" communicator. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_get_mpi_comm` :r comm: Fortran integer equivalent to the MPI communicator LAMMPS is using :rtype comm: integer .. note:: The C library interface currently returns type ``int`` instead of type ``MPI_Fint``, which is the C type corresponding to Fortran ``INTEGER`` types of the default kind. On most compilers, these are the same anyway, but this interface exchanges values this way to avoid warning messages. .. note:: The :f:mod:`MPI_F08` module, which defines Fortran 2008 bindings for MPI, is not directly supported by this function. However, you should be able to convert between the two using the `MPI_VAL` member of the communicator. For example, .. code-block:: fortran USE MPI_F08 USE LIBLAMMPS TYPE(lammps) :: lmp TYPE(MPI_Comm) :: comm ! ... [commands to set up LAMMPS/etc.] comm%MPI_VAL = lmp%get_mpi_comm() should assign an :f:mod:`MPI_F08` communicator properly. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:812: ERROR: Unknown directive type "f:function". .. f:function:: extract_setting(keyword) Query LAMMPS about global settings. See the documentation for the :cpp:func:`lammps_extract_setting` function from the C library. .. versionadded:: 3Nov2022 :p character(len=\*) keyword: string containing the name of the thermo keyword :to: :cpp:func:`lammps_extract_setting` :r integer(c_int) setting: value of the queried setting or :math:`-1` if unknown WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:826: ERROR: Unknown directive type "f:function". .. f:function:: extract_global(name) This function calls :cpp:func:`lammps_extract_global` and returns either a string or a pointer to internal global LAMMPS data, depending on the data requested through *name*. .. versionadded:: 3Nov2022 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data (with the exception of string data, which are copied and returned as ordinary Fortran strings). Pointers must be of the correct data type to point to said data (typically ``INTEGER(c_int)``, ``INTEGER(c_int64_t)``, or ``REAL(c_double)``) and have compatible kind and rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. The pointers returned by this function are generally persistent; therefore it is not necessary to call the function again unless a :doc:`clear` command has been issued, which wipes out and recreates the contents of the :cpp:class:`LAMMPS ` class. For example, .. code-block:: fortran PROGRAM demo USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int64_t, c_int, c_double USE LIBLAMMPS TYPE(lammps) :: lmp INTEGER(c_int), POINTER :: nlocal => NULL() INTEGER(c_int64_t), POINTER :: ntimestep => NULL() REAL(c_double), POINTER :: dt => NULL() CHARACTER(LEN=10) :: units lmp = lammps() ! other commands nlocal = lmp%extract_global('nlocal') ntimestep = lmp%extract_global('ntimestep') dt = lmp%extract_global('dt') units = lmp%extract_global('units') ! more commands lmp.close(.TRUE.) END PROGRAM demo would extract the number of atoms on this processor, the current time step, the size of the current time step, and the units being used into the variables *nlocal*, *ntimestep*, *dt*, and *units*, respectively. .. note:: If :f:func:`extract_global` returns a string, the string must have a length greater than or equal to the length of the string (not including the terminal ``NULL`` character) that LAMMPS returns. If the variable's length is too short, the string will be truncated. As usual in Fortran, strings are padded with spaces at the end. If you use an allocatable string, the string **must be allocated** prior to calling this function, but you can automatically reallocate it to the correct length after the function returns, viz., .. code-block :: fortran PROGRAM test USE LIBLAMMPS TYPE(lammps) :: lmp CHARACTER(LEN=:), ALLOCATABLE :: str lmp = lammps() CALL lmp%command('units metal') ALLOCATE(CHARACTER(LEN=80) :: str) str = lmp%extract_global('units') str = TRIM(str) ! re-allocates to length len_trim(str) here PRINT*, LEN(str), LEN_TRIM(str) END PROGRAM test will print the number 5 (the length of the word "metal") twice. :p character(len=\*) name: string with the name of the property to extract :to: :cpp:func:`lammps_extract_global` :r pointer [polymorphic]: pointer to LAMMPS data. The left-hand side of the assignment should be either a string (if expecting string data) or a C-compatible pointer (e.g., ``INTEGER(c_int), POINTER :: nlocal``) to the extracted property. If expecting vector data, the pointer should have dimension ":". .. warning:: Modifying the data in the location pointed to by the returned pointer may lead to inconsistent internal data and thus may cause failures, crashes, or bogus simulations. In general, it is much better to use a LAMMPS input command that sets or changes these parameters. Using an input command will take care of all side effects and necessary updates of settings derived from such settings. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:921: ERROR: Unknown directive type "f:function". .. f:function:: extract_atom(name) This function calls :cpp:func:`lammps_extract_atom` and returns a pointer to LAMMPS data tied to the :cpp:class:`Atom` class, depending on the data requested through *name*. .. versionadded:: 3Nov2022 Note that this function actually does not return a pointer, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct type, kind, and rank (e.g., ``INTEGER(c_int), DIMENSION(:)`` for "type", "mask", or "id"; ``INTEGER(c_int64_t), DIMENSION(:)`` for "id" if LAMMPS was compiled with the ``-DLAMMPS_BIGBIG`` flag; ``REAL(c_double), DIMENSION(:,:)`` for "x", "v", or "f"; and so forth). The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time. :p character(len=\*) name: string with the name of the property to extract :to: :cpp:func:`lammps_extract_atom` :r pointer: pointer to LAMMPS data. The left-hand side of the assignment should be a C-interoperable pointer of appropriate kind and rank (e.g., ``INTEGER(c_int), POINTER :: mask(:)``) to the extracted property. If expecting vector data, the pointer should have dimension ":"; if expecting matrix data, the pointer should have dimension ":,:". :rtype pointer: polymorphic .. warning:: Pointers returned by this function are generally not persistent, as per-atom data may be redistributed, reallocated, and reordered at every re-neighboring operation. It is advisable to re-bind pointers using :f:func:`extract_atom` between runs. .. admonition:: Array index order Two-dimensional arrays returned from :f:func:`extract_atom` will be **transposed** from equivalent arrays in C, and they will be indexed from 1 instead of 0. For example, in C, .. code-block:: c void *lmp; double **x; /* more code to setup, etc. */ x = lammps_extract_atom(lmp, "x"); printf("%f\n", x[5][1]); will print the *y*-coordinate of the sixth atom on this processor. Conversely, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:,:), POINTER :: x => NULL() ! more code to setup, etc. x = lmp%extract_atom("x") PRINT '(f0.6)', x(2,6) will print the *y*-coordinate of the sixth atom on this processor (note the transposition of the two indices). This is not a choice, but rather a consequence of the different conventions adopted by the Fortran and C standards decades ago: in C, the block of data .. parsed-literal:: 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 interpreted as a :math:`4\times4` matrix would be .. math:: \begin{bmatrix} 1 & 2 & 3 & 4 \\ 5 & 6 & 7 & 8 \\ 9 & 10 & 11 & 12 \\ 13 & 14 & 15 & 16 \end{bmatrix}, that is, in row-major order. In Fortran, the same block of data is interpreted in column-major order, namely, .. math:: \begin{bmatrix} 1 & 5 & 9 & 13 \\ 2 & 6 & 10 & 14 \\ 3 & 7 & 11 & 15 \\ 4 & 8 & 12 & 16 \end{bmatrix}. This difference in interpretation of the same block of data by the two languages means, in effect, that matrices from C or C++ will be transposed when interpreted in Fortran. .. note:: If you would like the indices to start at 0 instead of 1 (which follows typical notation in C and C++, but not Fortran), you can create another pointer and associate it thus: .. code-block:: fortran REAL(c_double), DIMENSION(:,:), POINTER :: x, x0 x = lmp%extract_atom("x") x0(0:,0:) => x The above would cause the dimensions of *x* to be (1:3, 1:nmax) and those of *x0* to be (0:2, 0:nmax\ :math:`-`\ 1). WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1032: ERROR: Unknown directive type "f:function". .. f:function:: extract_compute(id, style, type) This function calls :cpp:func:`lammps_extract_compute` and returns a pointer to LAMMPS data tied to the :cpp:class:`Compute` class, specifically data provided by the compute identified by *id*. Computes may provide global, per-atom, or local data, and those data may be a scalar, a vector, or an array. Since computes may provide multiple kinds of data, the user is required to specify which set of data is to be returned through the *style* and *type* variables. .. versionadded:: 3Nov2022 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct data type to point to said data (i.e., ``REAL(c_double)``) and have compatible rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: COM ! code to setup, create atoms, etc. CALL lmp%command('compute COM all com') COM = lmp%extract_compute('COM', lmp%style%global, lmp%style%type) will bind the variable *COM* to the center of mass of the atoms created in your simulation. The vector in this case has length 3; the length (or, in the case of array data, the number of rows and columns) is determined for you based on data from the :cpp:class:`Compute` class. .. admonition:: Array index order Two-dimensional arrays returned from :f:func:`extract_compute` will be **transposed** from equivalent arrays in C, and they will be indexed from 1 instead of 0. See the note at :f:func:`extract_atom` for further details. The following combinations are possible (assuming ``lmp`` is the name of your LAMMPS instance): .. list-table:: :header-rows: 1 :widths: auto * - Style - Type - Type to assign to - Returned data * - ``lmp%style%global`` - ``lmp%type%scalar`` - ``REAL(c_double), POINTER`` - Global scalar * - ``lmp%style%global`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Global vector * - ``lmp%style%global`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Global array * - ``lmp%style%atom`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%atom`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array * - ``lmp%style%local`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Local vector * - ``lmp%style%local`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Local array :p character(len=\*) id: compute ID from which to extract data :p integer(c_int) style: value indicating the style of data to extract (global, per-atom, or local) :p integer(c_int) type: value indicating the type of data to extract (scalar, vector, or array) :to: :cpp:func:`lammps_extract_compute` :r pointer: pointer to LAMMPS data. The left-hand side of the assignment should be a C-compatible pointer (e.g., ``REAL(c_double), POINTER :: x``) to the extracted property. If expecting vector data, the pointer should have dimension ":"; if expecting array (matrix) data, the pointer should have dimension ":,:". :rtype pointer: polymorphic .. note:: If the compute's data are not already computed for the current step, the compute will be invoked. LAMMPS cannot easily check at that time if it is valid to invoke a compute, so it may fail with an error. The caller has to check to avoid such an error. .. warning:: The pointers returned by this function are generally not persistent, since the computed data may be re-distributed, re-allocated, and re-ordered at every invocation. It is advisable to re-invoke this function before the data are accessed or make a copy if the data are to be used after other LAMMPS commands have been issued. Do **not** modify the data returned by this function. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1144: ERROR: Unknown directive type "f:function". .. f:function:: extract_fix(id, style, type[, nrow][, ncol]) This function calls :cpp:func:`lammps_extract_fix` and returns a pointer to LAMMPS data tied to the :cpp:class:`Fix` class, specifically data provided by the fix identified by *id*. Fixes may provide global, per-atom, or local data, and those data may be a scalar, a vector, or an array. Since many fixes provide multiple kinds of data, the user is required to specify which set of data is to be returned through the *style* and *type* variables. .. versionadded:: 3Nov2022 Global data are calculated at the time they are requested and are only available element-by-element. As such, the user is expected to provide the *nrow* variable to specify which element of a global vector or the *nrow* and *ncol* variables to specify which element of a global array the user wishes LAMMPS to return. The *ncol* variable is optional for global scalar or vector data, and both *nrow* and *ncol* are optional when a global scalar is requested, as well as when per-atom or local data are requested. The following combinations are possible (assuming ``lmp`` is the name of your LAMMPS instance): .. list-table:: :header-rows: 1 :widths: auto * - Style - Type - nrow - ncol - Type to assign to - Returned data * - ``lmp%style%global`` - ``lmp%type%scalar`` - Ignored - Ignored - ``REAL(c_double)`` - Global scalar * - ``lmp%style%global`` - ``lmp%type%vector`` - Required - Ignored - ``REAL(c_double)`` - Element of global vector * - ``lmp%style%global`` - ``lmp%type%array`` - Required - Required - ``REAL(c_double)`` - Element of global array * - ``lmp%style%atom`` - ``lmp%type%scalar`` - - - - (not allowed) * - ``lmp%style%atom`` - ``lmp%type%vector`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%atom`` - ``lmp%type%array`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array * - ``lmp%style%local`` - ``lmp%type%scalar`` - - - - (not allowed) * - ``lmp%style%local`` - ``lmp%type%vector`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%local`` - ``lmp%type%array`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array In the case of global data, this function returns a value of type ``REAL(c_double)``. For per-atom or local data, this function does not return a value but instead associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct type and kind to point to said data (i.e., ``REAL(c_double)``) and have compatible rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double) :: dr, dx, dy, dz ! more code to set up, etc. lmp%command('fix george all recenter 2 2 2') ! more code dr = lmp%extract_fix("george", lmp%style%global, lmp%style%scalar) dx = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 1) dy = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 2) dz = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 3) will extract the global scalar calculated by :doc:`fix recenter ` into the variable *dr* and the three elements of the global vector calculated by fix recenter into the variables *dx*, *dy*, and *dz*, respectively. If asked for per-atom or local data, :f:func:`extract_compute` returns a pointer to actual LAMMPS data. The pointer so returned will have the appropriate size to match the internal data, and will be type/kind/rank-checked at the time of the assignment. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: r ! more code to set up, etc. lmp%command('fix state all store/state 0 x y z') ! more code r = lmp%extract_fix('state', lmp%style%atom, lmp%type%array) will bind the pointer *r* to internal LAMMPS data representing the per-atom array computed by :doc:`fix store/state ` when three inputs are specified. Similarly, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: x ! more code to set up, etc. lmp%command('fix state all store/state 0 x') ! more code x = lmp%extract_fix('state', lmp%style%atom, lmp%type%vector) will associate the pointer *x* with internal LAMMPS data corresponding to the per-atom vector computed by :doc:`fix store/state ` when only one input is specified. Similar examples with ``lmp%style%atom`` replaced by ``lmp%style%local`` will extract local data from fixes that define local vectors and/or arrays. .. warning:: The pointers returned by this function for per-atom or local data are generally not persistent, since the computed data may be redistributed, reallocated, and reordered at every invocation of the fix. It is thus advisable to re-invoke this function before the data are accessed or to make a copy if the data are to be used after other LAMMPS commands have been issued. .. note:: LAMMPS cannot easily check if it is valid to access the data, so it may fail with an error. The caller has to avoid such an error. :p character(len=\*) id: string with the name of the fix from which to extract data :p integer(c_int) style: value indicating the style of data to extract (global, per-atom, or local) :p integer(c_int) type: value indicating the type of data to extract (scalar, vector, or array) :p integer(c_int) nrow: row index (used only for global vectors and arrays) :p integer(c_int) ncol: column index (only used for global arrays) :to: :cpp:func:`lammps_extract_fix` :r data: LAMMPS data (for global data) or a pointer to LAMMPS data (for per-atom or local data). The left-hand side of the assignment should be of type ``REAL(c_double)`` and have appropriate rank (i.e., ``DIMENSION(:)`` if expecting per-atom or local vector data and ``DIMENSION(:,:)`` if expecting per-atom or local array data). If expecting local or per-atom data, it should have the ``POINTER`` attribute, but if expecting global data, it should be an ordinary (non-``POINTER``) variable. :rtype data: polymorphic .. admonition:: Array index order Two-dimensional global, per-atom, or local array data from :f:func:`extract_fix` will be **transposed** from equivalent arrays in C (or in the ordinary LAMMPS interface accessed through thermodynamic output), and they will be indexed from 1, not 0. This is true even for global data, which are returned as scalars---this is done primarily so the interface is consistent, as there is no choice but to transpose the indices for per-atom or local array data. See the similar note under :f:func:`extract_atom` for further details. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1337: ERROR: Unknown directive type "f:function". .. f:function:: extract_variable(name[,group]) This function calls :cpp:func:`lammps_extract_variable` and returns a scalar, vector, or string containing the value of the variable identified by *name*. When the variable is an *equal*-style variable (or one compatible with that style such as *internal*), the variable is evaluated and the corresponding value returned. When the variable is an *atom*-style variable, the variable is evaluated and a vector of values is returned. With all other variables, a string is returned. The *group* argument is only used for *atom* style variables and is ignored otherwise. If *group* is absent for *atom*-style variables, the group is assumed to be "all". .. versionadded:: 3Nov2022 This function returns the values of the variables, not pointers to them. Vectors pointing to *atom*-style variables should be of type ``REAL(c_double)``, be of rank 1 (i.e., ``DIMENSION(:)``), and have the ``ALLOCATABLE`` attribute. .. note:: Unlike the C library interface, the Fortran interface does not require you to deallocate memory when you are through; this is done for you, behind the scenes. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double) :: area ! more code to set up, etc. lmp%command('variable A equal lx*ly') ! more code area = lmp%extract_variable("A") will extract the *x*\ --*y* cross-sectional area of the simulation into the variable *area*. :p character(len=\*) name: variable name to evaluate :o character(len=\*) group [optional]: group for which to extract per-atom data (if absent, use "all") :to: :cpp:func:`lammps_extract_variable` :r data: scalar of type ``REAL(c_double)`` (for *equal*-style variables and others that are *equal*-compatible), vector of type ``REAL(c_double), DIMENSION(:), ALLOCATABLE`` for *atom*- or *vector*-style variables, or ``CHARACTER(LEN=*)`` for *string*-style and compatible variables. Strings whose length is too short to hold the result will be truncated. Allocatable strings must be allocated before this function is called; see note at :f:func:`extract_global` regarding allocatable strings. Allocatable arrays (for *atom*- and *vector*-style data) will be reallocated on assignment. :rtype data: polymorphic WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1401: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_variable(name, str) Set the value of a string-style variable. .. deprecated:: 7Feb2024 This function assigns a new value from the string *str* to the string-style variable *name*\ . If *name* does not exist or is not a string-style variable, an error is generated. .. warning:: This subroutine is deprecated and :f:subr:`set_string_variable` should be used instead. :p character(len=*) name: name of the variable :p character(len=*) str: new value to assign to the variable :to: :cpp:func:`lammps_set_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1422: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_string_variable(name, str) Set the value of a string-style variable. .. versionadded:: 7Feb2024 This function assigns a new value from the string *str* to the string-style variable *name*\ . If *name* does not exist or is not a string-style variable, an error is generated. :p character(len=*) name: name of the variable :p character(len=*) str: new value to assign to the variable :to: :cpp:func:`lammps_set_string_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1438: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_internal_variable(name, val) Set the value of a internal-style variable. .. versionadded:: 7Feb2024 This function assigns a new value from the floating-point number *val* to the internal-style variable *name*\ . If *name* does not exist or is not an internal-style variable, an error is generated. :p character(len=*) name: name of the variable :p read(c_double) val: new value to assign to the variable :to: :cpp:func:`lammps_set_internal_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1454: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms(name, count, data) This function calls :cpp:func:`lammps_gather_atoms` to gather the named atom-based entity for all atoms on all processors and return it in the vector *data*. The vector *data* will be ordered by atom ID, which requires consecutive atom IDs (1 to *natoms*). .. versionadded:: 3Nov2022 If you need a similar array but have non-consecutive atom IDs, see :f:func:`gather_atoms_concat`; for a similar array but for a subset of atoms, see :f:func:`gather_atoms_subset`. The *data* array will be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count* :math:`\times` *natoms*), as queried by :f:func:`get_natoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms` .. note:: If you want data from this function to be accessible as a two-dimensional array, you can declare a rank-2 pointer and reassign it, like so: .. code-block:: fortran USE, INTRINSIC :: ISO_C_BINDING USE LIBLAMMPS TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), ALLOCATABLE, TARGET :: xdata REAL(c_double), DIMENSION(:,:), POINTER :: x ! other code to set up, etc. CALL lmp%gather_atoms('x',3,xdata) x(1:3,1:size(xdata)/3) => xdata You can then access the *y*\ -component of atom 3 with ``x(2,3)``. See the note about array index order at :f:func:`extract_atom`. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1511: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms_concat(name, count, data) This function calls :cpp:func:`lammps_gather_atoms_concat` to gather the named atom-based entity for all atoms on all processors and return it in the vector *data*. .. versionadded:: 3Nov2022 The vector *data* will not be ordered by atom ID, and there is no restriction on the IDs being consecutive. If you need the IDs, you can do another :f:func:`gather_atoms_concat` with *name* set to ``id``. If you need a similar array but have consecutive atom IDs, see :f:func:`gather_atoms`; for a similar array but for a subset of atoms, see :f:func:`gather_atoms_subset`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms_concat` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1545: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms_subset(name, count, ids, data) This function calls :cpp:func:`lammps_gather_atoms_subset` to gather the named atom-based entity for the atoms in the array *ids* from all processors and return it in the vector *data*. .. versionadded:: 3Nov2022 This subroutine gathers data for the requested atom IDs and stores them in a one-dimensional allocatable array. The data will be ordered by atom ID, but there is no requirement that the IDs be consecutive. If you wish to return a similar array for *all* the atoms, use :f:func:`gather_atoms` or :f:func:`gather_atoms_concat`. The *data* array will be in groups of *count* values, sorted by atom ID in the same order as the array *ids* (e.g., if *name* is *x*, *count* = 3, and *ids* is [100, 57, 210], then *data* might look like [*x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57), *x*\ (1,210), :math:`\dots`]; *ids* must be provided by the user, and *data* must be of rank 1 (i.e., ``DIMENSION(:)``) and have the ``ALLOCATABLE`` attribute. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms to be gathered :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1587: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_atoms(name, data) This function calls :cpp:func:`lammps_scatter_atoms` to scatter the named atom-based entities in *data* to all processors. .. versionadded:: 3Nov2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to all atoms on all processors. The data must be ordered by atom ID, with the requirement that the IDs be consecutive. Use :f:func:`scatter_atoms_subset` to scatter data for some (or all) atoms, in any order. The *data* array needs to be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be of length *natoms* or 3\*\ *natoms*. :p character(len=\*) name: quantity to be scattered (e.g., *x* or *charge*) :p data: per-atom values packed in a one-dimensional array containing the data to be scattered. This array must have length *natoms* (e.g., for *type* or *charge*) or length *natoms*\ :math:`{}\times 3` (e.g., for *x* or *f*). The array *data* must be rank 1 (i.e., ``DIMENSION(:)``) and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *x* or *charge* or *f*). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter_atoms` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1618: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_atoms_subset(name, ids, data) This function calls :cpp:func:`lammps_scatter_atoms_subset` to scatter the named atom-based entities in *data* to all processors. .. versionadded:: 3Nov2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to a subset of atoms on all processors. The array *data* contains data associated with atom IDs, but there is no requirement that the IDs be consecutive, as they are provided in a separate array, *ids*. Use :f:func:`scatter_atoms` to scatter data for all atoms, in order. The *data* array needs to be organized in groups of 1 or 3 values, depending on which quantity is being scattered, with the groups in the same order as the array *ids*. For example, if you want *data* to be the array [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57)], then *ids* would be [1, 100, 57] and *name* would be *x*. :p character(len=\*) name: quantity to be scattered (e.g., *x* or *charge*) :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms being scattered :p data: per-atom values packed into a one-dimensional array containing the data to be scattered. This array must have either the same length as *ids* (for *mask*, *type*, etc.) or three times its length (for *x*, *f*, etc.); the array must be rank 1 and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *charge*, *x*, or *f*). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter_atoms_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1652: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_bonds(data) Gather type and constituent atom information for all bonds. .. versionadded:: 3Nov2022 This function copies the list of all bonds into an allocatable array. The array will be filled with (bond type, bond atom 1, bond atom 2) for each bond. The array is allocated to the right length (i.e., three times the number of bonds). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM bonds USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: bonds INTEGER(c_int), DIMENSION(:,:), POINTER :: bonds_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create bonds, etc. CALL lmp%gather_bonds(bonds) bonds_array(1:3, 1:SIZE(bonds)/3) => bonds DO i = 1, SIZE(bonds)/3 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4)') 'bond', bonds_array(1,i), & '; type = ', bonds_array(2,i), bonds_array(3,i) END DO END PROGRAM bonds :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_bonds` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1697: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_angles(data) Gather type and constituent atom information for all angles. .. versionadded:: 8Feb2023 This function copies the list of all angles into an allocatable array. The array will be filled with (angle type, angle atom 1, angle atom 2, angle atom 3) for each angle. The array is allocated to the right length (i.e., four times the number of angles). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM angles USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: angles INTEGER(c_int), DIMENSION(:,:), POINTER :: angles_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create angles, etc. CALL lmp%gather_angles(angles) angles_array(1:4, 1:SIZE(angles)/4) => angles DO i = 1, SIZE(angles)/4 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4)') 'angle', angles_array(1,i), & '; type = ', angles_array(2,i), angles_array(3,i), angles_array(4,i) END DO END PROGRAM angles :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_angles` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1742: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather(self, name, count, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes, in order by atom ID. .. versionadded:: 22Dec2022 This subroutine gathers data from all processes and stores them in a one-dimensional allocatable array. The array *data* will be ordered by atom ID, which requires consecutive IDs (1 to *natoms*\ ). If you need a similar array but for non-consecutive atom IDs, see :cpp:func:`lammps_gather_concat`; for a similar array but for a subset of atoms, see :cpp:func:`lammps_gather_subset`. The *data* array will be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x*, then *data* is [x(1,1), x(2,1), x(3,1), x(1,2), x(2,2), x(3,2), x(1,3), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count*\ :math:`{}\times{}`\ *natoms*), as queried by :f:func:`get_natoms`. This function will return an error if fix or compute data are requested and the fix or compute ID given does not have per-atom data. See the note about re-interpreting the vector as a matrix at :f:subr:`gather_atoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) count: number of per-atom values (e.g., 1 for *type* or *charge*, 3 for *x* or *f*); use *count* = 3 with *image* if you want the image flags unpacked into (*x*,\ *y*,\ *z*) components. :p real(c_double) data [dimension(:),allocatable]: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. :to: :cpp:func:`lammps_gather` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1784: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_dihedrals(data) Gather type and constituent atom information for all dihedrals. .. versionadded:: 8Feb2023 This function copies the list of all dihedrals into an allocatable array. The array will be filled with (dihedral type, dihedral atom 1, dihedral atom 2, dihedral atom 3, dihedral atom 4) for each dihedral. The array is allocated to the right length (i.e., five times the number of dihedrals). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM dihedrals USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: dihedrals INTEGER(c_int), DIMENSION(:,:), POINTER :: dihedrals_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create dihedrals, etc. CALL lmp%gather_dihedrals(dihedrals) dihedrals_array(1:5, 1:SIZE(dihedrals)/5) => dihedrals DO i = 1, SIZE(dihedrals)/5 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4,1X,I4)') 'dihedral', dihedrals_array(1,i), & '; type = ', dihedrals_array(2,i), dihedrals_array(3,i), dihedrals_array(4,i), dihedrals_array(5,i) END DO END PROGRAM dihedrals :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_dihedrals` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1830: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_impropers(data) Gather type and constituent atom information for all impropers. .. versionadded:: 8Feb2023 This function copies the list of all impropers into an allocatable array. The array will be filled with (improper type, improper atom 1, improper atom 2, improper atom 3, improper atom 4) for each improper. The array is allocated to the right length (i.e., five times the number of impropers). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM impropers USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: impropers INTEGER(c_int), DIMENSION(:,:), POINTER :: impropers_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create impropers, etc. CALL lmp%gather_impropers(impropers) impropers_array(1:5, 1:SIZE(impropers)/5) => impropers DO i = 1, SIZE(impropers)/5 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4,1X,I4)') 'improper', impropers_array(1,i), & '; type = ', impropers_array(2,i), impropers_array(3,i), impropers_array(4,i), impropers_array(5,i) END DO END PROGRAM impropers :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_impropers` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1876: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_concat(self, name, count, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes, unordered. .. versionadded:: 22Dec2022 This subroutine gathers data for all atoms and stores them in a one-dimensional allocatable array. The data will be a concatenation of chunks from each processor's owned atoms, in whatever order the atoms are in on each processor. This process has no requirement that the atom IDs be consecutive. If you need the ID of each atom, you can do another call to either :f:subr:`gather_atoms_concat` or :f:subr:`gather_concat` with *name* set to ``id``. If you have consecutive IDs and want the data to be in order, use :f:subr:`gather`; for a similar array but for a subset of atoms, use :f:subr:`gather_subset`. The *data* array will be in groups of *count* values, with *natoms* groups total, but not in order by atom ID (e.g., if *name* is *x* and *count* is 3, then *data* might be something like [x(1,11), x(2,11), x(3,11), x(1,3), x(2,3), x(3,3), x(1,5), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count* :math:`\times` *natoms*), as queried by :f:func:`get_natoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_concat` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1922: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_subset(name, count, ids, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes for a subset of atoms. .. versionadded:: 22Dec2022 This subroutine gathers data for the requested atom IDs and stores them in a one-dimensional allocatable array. The data will be ordered by atom ID, but there is no requirement that the IDs be consecutive. If you wish to return a similar array for *all* the atoms, use :f:subr:`gather` or :f:subr:`gather_concat`. The *data* array will be in groups of *count* values, sorted by atom ID in the same order as the array *ids* (e.g., if *name* is *x*, *count* = 3, and *ids* is [100, 57, 210], then *data* might look like [*x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57), *x*\ (1,210), :math:`\dots`]); *ids* must be provided by the user, and *data* must have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If *data* is already allocated, it will be reallocated to fit the length of the incoming data. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: quantity to be scattered :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms being scattered (e.g., "x" or "f" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{} > 1`) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: per-atom values packed into a one-dimensional array containing the data to be scattered. This array must have the ``ALLOCATABLE`` attribute and will be allocated either to the same length as *ids* (for *mask*, *type*, etc.) or to three times its length (for *x*, *f*, etc.); the array must be rank 1 and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *charge*, *x*, or *f*). :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1969: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter(name, data) This function calls :cpp:func:`lammps_scatter` to scatter the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entity in *data* to all processes. .. versionadded:: 22Dec2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to all atoms on all processes. The data must be ordered by atom ID, with the requirement that the IDs be consecutive. Use :f:subr:`scatter_subset` to scatter data for some (or all) atoms, unordered. The *data* array needs to be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be of length (*count* :math:`\times` *natoms*). This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=*) name: desired quantity (e.g., "x" or "f" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{} > 1`) :p data: per-atom values packed in a one-dimensional array; *data* should be of type ``INTEGER(c_int)`` or ``REAL(c_double)``, depending on the type of data being scattered, and be of rank 1 (i.e., ``DIMENSION(:)``). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2002: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_subset(name, ids, data) This function calls :cpp:func:`lammps_scatter_subset` to scatter the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities in *data* from a subset of atoms to all processes. .. versionadded:: 22Dec2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to a subset of atoms on all processes. The array *data* contains data associated with atom IDs, but there is no requirement that the IDs be consecutive, as they are provided in a separate array. Use :f:subr:`scatter` to scatter data for all atoms, in order. The *data* array needs to be organized in groups of *count* values, with the groups in the same order as the array *ids*. For example, if you want *data* to be the array [x(1,1), x(2,1), x(3,1), x(1,100), x(2,100), x(3,100), x(1,57), x(2,57), x(3,57)], then *count* = 3 and *ids* = [1, 100, 57]. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) ids: list of atom IDs to scatter data for :p polymorphic data [dimension(:)]: per-atom values packed in a one-dimensional array of length *size(ids)* \* *count*. :to: :cpp:func:`lammps_scatter_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2035: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: create_atoms([id,] type, x, [v,] [image,] [bexpand]) This method calls :cpp:func:`lammps_create_atoms` to create additional atoms from a given list of coordinates and a list of atom types. Additionally, the atom IDs, velocities, and image flags may be provided. .. versionadded:: 3Nov2022 :p integer(c_int) type [dimension(N)]: vector of :math:`N` atom types (required/see note below) :p real(c_double) x [dimension(3N)]: vector of :math:`3N\ x/y/z` positions of the new atoms, arranged as :math:`[x_1,y_1,z_1,x_2,y_2,\dotsc]` (required/see note below) :o integer(kind=\*) id [dimension(N),optional]: vector of :math:`N` atom IDs; if absent, LAMMPS will generate them for you. \*The ``KIND`` parameter should be ``c_int`` unless LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, in which case it should be ``c_int64_t``. :o real(c_double) v [dimension(3N),optional]: vector of :math:`3N` *x*\ /*y*\ /*z* velocities of the new atoms, arranged as :math:`[v_{1,x},v_{1,y},v_{1,z},v_{2,x}, \dotsc]`; if absent, they will be set to zero :o integer(kind=\*) image [dimension(N),optional]: vector of :math:`N` image flags; if absent, they are set to zero. \*The ``KIND`` parameter should be ``c_int`` unless LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, in which case it should be ``c_int64_t``. See note below. :o bexpand: if ``.TRUE.``, atoms outside of shrink-wrap boundaries will be created, not dropped, and the box dimensions will be extended. Default is ``.FALSE.`` :otype bexpand: logical,optional :to: :cpp:func:`lammps_create_atoms` .. note:: The *type* and *x* arguments are required, but they are declared ``OPTIONAL`` in the module because making them mandatory would require *id* to be present as well. To have LAMMPS generate the ids for you, use a call something like .. code-block:: fortran lmp%create_atoms(type=new_types, x=new_xs) .. note:: When LAMMPS has been compiled with ``-DLAMMPS_BIGBIG``, it is not possible to include the *image* parameter but omit the *id* parameter. Either *id* must be present, or both *id* and *image* must be absent. This is required because having all arguments be optional in both generic functions creates an ambiguous interface. This limitation does not exist if LAMMPS was not compiled with ``-DLAMMPS_BIGBIG``. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2088: ERROR: Unknown directive type "f:function". .. f:function:: find_pair_neighlist(style[, exact][, nsub][, reqid]) Find index of a neighbor list requested by a pair style. .. versionadded:: 3Nov2022 This function determines which of the available neighbor lists for pair styles matches the given conditions. It first matches the style name. If *exact* is ``.TRUE.``, the name must match exactly; if ``.FALSE.``, a regular expression or sub-string match is done. If the pair style is *hybrid* or *hybrid/overlay*, the style is matched against the sub-styles instead. If the same pair style is used multiple times as a sub-style, the *nsub* argument must be :math:`> 0`; this argument represents the *n*\ th instance of the sub-style (same as for the :doc:`pair_coeff ` command, for example). In that case, *nsub*\ :math:`{} = 0` will not produce a match, and the function will return :math:`-1`. The final condition to be checked is the request ID (\ *reqid*\ ). This will usually be zero, but some pair styles request multiple neighbor lists and set the request ID to a value greater than zero. :p character(len=\*) style: String used to search for pair style instance. :o exact: Flag to control whether style should match exactly or only a regular expression/sub-string match is applied. Default: ``.TRUE.``. :otype exact: logical,optional :o integer(c_int) nsub [optional]: Match *nsub*\ th hybrid sub-style instance of the same style. Default: 0. :o integer(c_int) reqid [optional]: Request ID to identify the neighbor list in case there are multiple requests from the same pair style instance. Default: 0. :to: :cpp:func:`lammps_find_pair_neighlist` :r integer(c_int) index: Neighbor list index if found, otherwise :math:`-1`. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2124: ERROR: Unknown directive type "f:function". .. f:function:: find_fix_neighlist(id[, reqid]) Find index of a neighbor list requested by a fix. .. versionadded:: 3Nov2022 The neighbor list request from a fix is identified by the fix ID and the request ID. The request ID is typically zero, but will be :math:`>0` for fixes with multiple neighbor list requests. :p character(len=\*) id: Identifier of fix instance :o integer(c_int) reqid [optional]: request ID to identify the neighbor list in cases in which there are multiple requests from the same fix. Default: 0. :to: :cpp:func:`lammps_find_fix_neighlist` :r index: neighbor list index if found, otherwise :math:`-1` :rtype index: integer(c_int) WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2144: ERROR: Unknown directive type "f:function". .. f:function:: find_compute_neighlist(id[, reqid]) Find index of a neighbor list requested by a compute. .. versionadded:: 3Nov2022 The neighbor list request from a compute is identified by the compute ID and the request ID. The request ID is typically zero, but will be :math:`> 0` in case a compute has multiple neighbor list requests. :p character(len=\*) id: Identifier of compute instance. :o integer(c_int) reqid [optional]: request ID to identify the neighbor list in cases in which there are multiple requests from the same compute. Default: 0. :to: :cpp:func:`lammps_find_compute_neighlist` :r index: neighbor list index if found, otherwise :math:`-1`. :rtype index: integer(c_int) WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2164: ERROR: Unknown directive type "f:function". .. f:function:: neighlist_num_elements(idx) Return the number of entries in the neighbor list with the given index. .. versionadded:: 3Nov2022 :p integer(c_int) idx: neighbor list index :to: :cpp:func:`lammps_neighlist_num_elements` :r inum: number of entries in neighbor list, or :math:`-1` if *idx* is not a valid index. :rtype inum: integer(c_int) :to: :cpp:func:`lammps_neighlist_num_elements` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2179: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: neighlist_element_neighbors(idx, element, iatom, neighbors) Return atom local index, number of neighbors, and array of neighbor local atom indices of a neighbor list entry. .. versionadded:: 3Nov2022 :p integer(c_int) idx: index of this neighbor list in the list of all neighbor lists :p integer(c_int) element: index of this neighbor list entry :p integer(c_int) iatom: local atom index (i.e., in the range [1,nlocal+nghost]; -1 if invalid or element value :p integer(c_int) neighbors [dimension(:),pointer]: pointer to an array of neighboring atom local indices :to: :cpp:func:`lammps_neighlist_element_neighbors` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2197: ERROR: Unknown directive type "f:function". .. f:function:: version() This method returns the numeric LAMMPS version like :cpp:func:`lammps_version` does. :to: :cpp:func:`lammps_version` :r version: LAMMPS version :rtype version: integer WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2208: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_os_info(buffer) This function can be used to retrieve detailed information about the hosting operating system and compiler/runtime environment. .. versionadded:: 3Nov2022 A suitable buffer has to be provided. The assembled text will be truncated so as not to overflow this buffer. The string is typically a few hundred bytes long. :p character(len=\*) buffer: string that will house the information. :to: :cpp:func:`lammps_get_os_info` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2225: ERROR: Unknown directive type "f:function". .. f:function:: config_has_mpi_support() This function is used to query whether LAMMPS was compiled with a real MPI library or in serial. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_config_has_mpi_support` :r has_mpi: ``.FALSE.`` when compiled with STUBS, ``.TRUE.`` if complied with MPI. :rtype has_mpi: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2239: ERROR: Unknown directive type "f:function". .. f:function:: config_has_gzip_support() Check if the LAMMPS library supports reading or writing compressed files via a pipe to gzip or similar compression programs. .. versionadded:: 3Nov2022 Several LAMMPS commands (e.g., :doc:`read_data`, :doc:`write_data`, :doc:`dump styles atom, custom, and xyz `) support reading and writing compressed files via creating a pipe to the ``gzip`` program. This function checks whether this feature was :ref:`enabled at compile time `. It does **not** check whether ``gzip`` or any other supported compression programs themselves are installed and usable. :to: :cpp:func:`lammps_config_has_gzip_support` :r has_gzip: :rtype has_gzip: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2259: ERROR: Unknown directive type "f:function". .. f:function:: config_has_png_support() Check if the LAMMPS library supports writing PNG format images. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style image ` supports writing multiple image file formats. Most of them, however, need support from an external library, and using that has to be :ref:`enabled at compile time `. This function checks whether support for the `PNG image file format `_ is available in the current LAMMPS library. :to: :cpp:func:`lammps_config_has_png_support` :r has_png: :rtype has_png: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2278: ERROR: Unknown directive type "f:function". .. f:function:: config_has_jpeg_support() Check if the LAMMPS library supports writing JPEG format images. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style image ` supports writing multiple image file formats. Most of them, however, need support from an external library, and using that has to be :ref:`enabled at compile time `. This function checks whether support for the `JPEG image file format `_ is available in the current LAMMPS library. :to: :cpp:func:`lammps_config_has_jpeg_support` :r has_jpeg: :rtype has_jpeg: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2296: ERROR: Unknown directive type "f:function". .. f:function:: config_has_ffmpeg_support() Check if the LAMMPS library supports creating movie files via a pipe to ffmpeg. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style movie ` supports generating movies from images on-the-fly via creating a pipe to the `ffmpeg `_ program. This function checks whether this feature was :ref:`enabled at compile time `. It does **not** check whether the ``ffmpeg`` itself is installed and usable. :to: :cpp:func:`lammps_config_has_ffmpeg_support` :r has_ffmpeg: :rtype has_ffmpeg: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2316: ERROR: Unknown directive type "f:function". .. f:function:: config_has_exceptions() Check whether LAMMPS errors will throw C++ exceptions. .. versionadded:: 3Nov2022 When using the library interface, the library interface functions will "catch" exceptions, and then the error status can be checked by calling :f:func:`has_error`. The most recent error message can be retrieved via :f:func:`get_last_error_message`. This allows to restart a calculation or delete and recreate the LAMMPS instance when a C++ exception occurs. One application of using exceptions this way is the :ref:`lammps_shell`. :to: :cpp:func:`lammps_config_has_exceptions` :r has_exceptions: :rtype has_exceptions: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2336: ERROR: Unknown directive type "f:function". .. f:function:: config_has_package(name) Check whether a specific package has been included in LAMMPS .. versionadded:: 3Nov2022 This function checks whether the LAMMPS library in use includes the specific :doc:`LAMMPS package ` provided as argument. :to: :cpp:func:`lammps_config_has_package` :r has_package: :rtype has_package: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2351: ERROR: Unknown directive type "f:function". .. f:function:: config_package_count() Count the number of installed packages in the LAMMPS library. .. versionadded:: 3Nov2022 This function counts how many :doc:`LAMMPS packages ` are included in the LAMMPS library in use. It directly calls the C library function :cpp:func:`lammps_config_package_count`. :to: :cpp:func:`lammps_config_package_count` :r integer(c_int) npackages: number of packages installed WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2366: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: config_package_name(idx, buffer) Get the name of a package in the list of installed packages in the LAMMPS library. .. versionadded:: 3Nov2022 This subroutine copies the name of the package with the index *idx* into the provided string *buffer*. If the name of the package exceeds the length of the buffer, it will be truncated accordingly. If the index is out of range, *buffer* is set to an empty string. :p integer(c_int) idx: index of the package in the list of included packages :math:`(0 \le idx < \text{package count})` :p character(len=\*) buffer: string to hold the name of the package :to: :cpp:func:`lammps_config_package_name` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2385: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: installed_packages(package[, length]) Obtain a list of the names of enabled packages in the LAMMPS shared library and store it in *package*. .. versionadded:: 3Nov2022 This function is analogous to the :py:meth:`installed_packages ` function in the Python API. The optional argument *length* sets the length of each string in the vector *package* (default: 31). :p character(len=:) package [dimension(:),allocatable]: list of packages; *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``) with allocatable length. :o length: length of each string in the list. Default: 31. :otype length: integer,optional :to: :cpp:func:`lammps_config_package_count` :to: :cpp:func:`lammps_config_package_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2407: ERROR: Unknown directive type "f:function". .. f:function:: config_accelerator(package, category, setting) This function calls :cpp:func:`lammps_config_accelerator` to check the availability of compile time settings of included :doc:`accelerator packages ` in LAMMPS. .. versionadded:: 3Nov2022 Supported packages names are "GPU", "KOKKOS", "INTEL", and "OPENMP". Supported categories are "api" with possible settings "cuda", "hip", "phi", "pthreads", "opencl", "openmp", and "serial"; and "precision" with possible settings "double", "mixed", and "single". :p character(len=\*) package: string with the name of the accelerator package :p character(len=\*) category: string with the name of the setting :p character(len=\*) setting: string with the name of the specific setting :to: :cpp:func:`lammps_config_accelerator` :r available: ``.TRUE.`` if the combination of package, category, and setting is available, otherwise ``.FALSE.``. :rtype available: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2432: ERROR: Unknown directive type "f:function". .. f:function:: has_gpu_device() Checks for the presence of a viable GPU package device. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_has_gpu_device`, which checks at runtime whether an accelerator device is present that can be used with the :doc:`GPU package `. More detailed information about the available device or devices can be obtained by calling the :f:subr:`get_gpu_device_info` subroutine. :to: :cpp:func:`lammps_has_gpu_device` :r available: ``.TRUE.`` if a viable device is available, ``.FALSE.`` if not. :rtype available: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2452: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_gpu_device_info(buffer) Get GPU package device information. .. versionadded:: 3Nov2022 Calls :cpp:func:`lammps_get_gpu_device_info` to retrieve detailed information about any accelerator devices that are viable for use with the :doc:`GPU package `. It will fill *buffer* with a string that is equivalent to the output of the ``nvc_get_device`` or ``ocl_get_device`` or ``hip_get_device`` tools that are compiled alongside LAMMPS if the GPU package is enabled. A suitable-length Fortran string has to be provided. The assembled text will be truncated so as not to overflow this buffer. This string can be several kilobytes long if multiple devices are present. :p character(len=\*) buffer: string into which to copy the information. :to: :cpp:func:`lammps_get_gpu_device_info` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2474: ERROR: Unknown directive type "f:function". .. f:function:: has_style(category, name) Check whether a specific style has been included in LAMMPS. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_has_style` to check whether the LAMMPS library in use includes the specific style *name* associated with a specific *category* provided as arguments. Please see :cpp:func:`lammps_has_style` for a list of valid categories. :p character(len=\*) category: category of the style :p character(len=\*) name: name of the style :to: :cpp:func:`lammps_has_style` :r has_style: ``.TRUE.`` if included, ``.FALSE.`` if not. :rtype has_style: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2493: ERROR: Unknown directive type "f:function". .. f:function:: style_count(category) Count the number of styles of *category* in the LAMMPS library. .. versionadded:: 3Nov2022 This function counts how many styles in the provided *category* are included in the LAMMPS library currently in use. Please see :cpp:func:`lammps_has_style` for a list of valid categories. :p character(len=\*) category: category of styles to count :to: :cpp:func:`lammps_style_count` :r integer(c_int) count: number of styles in *category* WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2509: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: style_name(category, idx, buffer) Look up the name of a style by index in the list of styles of a given category in the LAMMPS library. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_style_name` and copies the name of the *category* style with index *idx* into the provided string *buffer*. The length of *buffer* must be long enough to contain the name of the style; if it is too short, the name will be truncated accordingly. If *idx* is out of range, *buffer* will be the empty string and a warning will be issued. :p character(len=\*) category: category of styles :p integer(c_int) idx: index of the style in the list of *category* styles :math:`(1 \leq idx \leq \text{style count})` :p character(len\*) buffer: string buffer to copy the name of the style into :to: :cpp:func:`lammps_style_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2532: ERROR: Unknown directive type "f:function". .. f:function:: has_id(category, name) This function checks if the current LAMMPS instance a *category* ID of the given *name* exists. Valid categories are: *compute*\ , *dump*\ , *fix*\ , *group*\ , *molecule*\ , *region*\ , and *variable*\ . .. versionadded:: 3Nov2022 :p character(len=\*) category: category of the ID :p character(len=\*) name: name of the ID :to: :cpp:func:`lammps_has_id` :r has_id: ``.TRUE.`` if *category* style *name* exists, ``.FALSE.`` if not. :rtype has_id: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2548: ERROR: Unknown directive type "f:function". .. f:function:: id_count(category) This function counts how many IDs in the provided *category* are defined in the current LAMMPS instance. Please see :f:func:`has_id` for a list of valid categories. .. versionadded:: 3Nov2022 :p character(len=\*) category: category of the ID :to: :cpp:func:`lammps_id_count` :r count: number of IDs in *category* :rtype count: integer(c_int) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2563: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: id_name(category, idx, buffer) Look up the name of an ID by index in the list of IDs of a given category. .. versionadded:: 3Nov2022 This function copies the name of the *category* ID with the index *idx* into the provided string *buffer*\ . The length of the buffer must be long enough to hold the string; if the name of the style exceeds the length of the buffer, it will be truncated accordingly. If *buffer* is ``ALLOCATABLE``, it must be allocated *before* the function is called. If *idx* is out of range, *buffer* is set to an empty string and a warning is issued. :p character(len=\*) category: category of IDs :p integer(c_int) idx: index of the ID in the list of *category* styles (:math:`0 \leq idx < count`) :p character(len=\*) buffer: string into which to copy the name of the style :to: :cpp:func:`lammps_id_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2586: ERROR: Unknown directive type "f:function". .. f:function:: plugin_count() This function counts the number of loaded plugins. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_plugin_count` :r n: number of loaded plugins :rtype n: integer(c_int) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2598: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: plugin_name(idx, stylebuf, namebuf) Look up the style and name of a plugin by its index in the list of plugins. .. versionadded:: 3Nov2022 This function copies the name of the *style* plugin with the index *idx* into the provided C-style string buffer. The length of the buffer must be provided as *buf_size* argument. If the name of the style exceeds the length of the buffer, it will be truncated accordingly. If the index is out of range, both strings are set to the empty string and a warning is printed. :p integer(c_int) idx: index of the plugin in the list all or *style* plugins :p character(len=\*) stylebuf: string into which to copy the style of the plugin :p character(len=\*) namebuf: string into which to copy the style of the plugin :to: :cpp:func:`lammps_plugin_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2621: ERROR: Unknown directive type "f:function". .. f:function:: encode_image_flags(ix, iy, iz) Encodes three integer image flags into a single imageint. .. versionadded:: 3Nov2022 This function performs the bit-shift, addition, and bit-wise OR operations necessary to combine the values of three integers representing the image flags in the :math:`x`-, :math:`y`-, and :math:`z`-directions. Unless LAMMPS is compiled with ``-DLAMMPS_BIGBIG``, those integers are limited to 10-bit signed integers :math:`[-512,512)`. If ``-DLAMMPS_BIGBIG`` was used when compiling, then the return value is of kind ``c_int64_t`` instead of kind ``c_int``, and the valid range for the individual image flags becomes :math:`[-1048576,1048575)` (i.e., the range of a 21-bit signed integer). There is no check on whether the arguments conform to these requirements; values out of range will simply be wrapped back into the interval. :p integer(c_int) ix: image flag in :math:`x`-direction :p integer(c_int) iy: image flag in :math:`y`-direction :p integer(c_int) iz: image flag in :math:`z`-direction :r integer(kind=\*) imageint: encoded image flag. \*The ``KIND`` parameter is ``c_int`` unless LAMMPS was built with ``-DLAMMPS_BIGBIG``, in which case it is ``c_int64_t``. .. note:: The fact that the programmer does not know the ``KIND`` parameter of the return value until compile time means that it is impossible to define an interface that works for both sizes of ``imageint``. One side effect of this is that you must assign the return value of this function to a variable; it cannot be used as the argument to another function or as part of an array constructor. For example, .. code-block:: fortran my_images = [lmp%encode_image_flags(0,0,0), lmp%encode_image_flags(1,0,0)] will *not* work; instead, do something like .. code-block:: fortran my_images(1) = lmp%encode_image_flags(0,0,0) my_images(2) = lmp%encode_image_flags(1,0,0) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2667: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: decode_image_flags(image, flags) This function does the reverse operation of :f:func:`encode_image_flags`: it takes the image flag and performs the bit-shift and bit-masking operations to decode it and stores the resulting three integers into the array *flags*. .. versionadded:: 3Nov2022 :p integer(kind=\*) image: encoded image flag. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, ``c_int64_t``. Kind compatibility is checked at run-time. :p integer(c_int) flags [dimension(3)]: three-element vector where the decoded image flags will be stored. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2684: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_fix_external_callback(id, callback, caller) Set the callback function for a :doc:`fix external ` instance with the given ID. .. versionadded:: 22Dec2022 Fix :doc:`external ` allows programs that are running LAMMPS through its library interface to modify certain LAMMPS properties on specific time steps, similar to the way other fixes do. This subroutine sets the callback function for use with the "pf/callback" mode. The function should have Fortran language bindings with the following interface, which depends on how LAMMPS was compiled: .. code-block:: fortran ABSTRACT INTERFACE SUBROUTINE external_callback(caller, timestep, ids, x, fexternal) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_double, c_int64_t CLASS(*), INTENT(INOUT) :: caller INTEGER(c_bigint), INTENT(IN) :: timestep INTEGER(c_tagint), DIMENSION(:), INTENT(IN) :: ids REAL(c_double), DIMENSION(:,:), INTENT(IN) :: x REAL(c_double), DIMENSION(:,:), INTENT(OUT) :: fexternal END SUBROUTINE external_callback END INTERFACE where ``c_bigint`` is ``c_int`` if ``-DLAMMPS_SMALLSMALL`` was used and ``c_int64_t`` otherwise; and ``c_tagint`` is ``c_int64_t`` if ``-DLAMMPS_BIGBIG`` was used and ``c_int`` otherwise. The argument *caller* to :f:subr:`set_fix_external_callback` is unlimited polymorphic (i.e., it can be any Fortran object you want to pass to the calling function) and will be available as the first argument to the callback function. It can be your LAMMPS instance, which you might need if the callback function needs access to the library interface. The argument must be a scalar; to pass non-scalar data, wrap those data in a derived type and pass an instance of the derived type to *caller*. The array *ids* is an array of length *nlocal* (as accessed from the :cpp:class:`Atom` class or through :f:func:`extract_global`). The arrays *x* and *fexternal* are :math:`3 \times {}`\ *nlocal* arrays; these are transposed from what they would look like in C (see note about array index order at :f:func:`extract_atom`). The callback mechanism is one of two ways that forces can be applied to a simulation with the help of :doc:`fix external `. The alternative is *array* mode, where one calls :f:func:`fix_external_get_force`. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and couple it with external programs. :p character(len=*) id: ID of :doc:`fix external ` instance :p callback: subroutine :doc:`fix external ` should call :ptype callback: external :p class(*) caller [optional]: object you wish to pass to the callback procedure (must be a scalar; see note) :to: :cpp:func:`lammps_set_fix_external_callback` .. note:: The interface for your callback function must match types precisely with the abstract interface block given above. **The compiler probably will not be able to check this for you.** In particular, the first argument ("caller") must be of type ``CLASS(*)`` or you will probably get a segmentation fault or at least a misinterpretation of whatever is in memory there. You can resolve the object using the ``SELECT TYPE`` construct. An example callback function (assuming LAMMPS was compiled with ``-DLAMMPS_SMALLBIG``) that applies something akin to Hooke's Law (with each atom having a different *k* value) is shown below. .. code-block:: fortran MODULE stuff USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_double, c_int64_t USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : error_unit IMPLICIT NONE TYPE shield REAL(c_double), DIMENSION(:,:), ALLOCATABLE :: k ! assume k gets allocated to dimension(3,nlocal) at some point ! and assigned values END TYPE shield SUBROUTINE my_callback(caller, timestep, ids, x, fexternal) CLASS(*), INTENT(INOUT) :: caller INTEGER(c_int), INTENT(IN) :: timestep INTEGER(c_int64_t), INTENT(IN) :: ids REAL(c_double), INTENT(IN) :: x(:,:) REAL(c_double), INTENT(OUT) :: fexternal(:,:) SELECT TYPE (caller) TYPE IS (shield) fexternal = - caller%k * x CLASS DEFAULT WRITE(error_unit,*) 'UH OH...' END SELECT END SUBROUTINE my_callback END MODULE stuff ! then, when assigning the callback function, do this: PROGRAM example USE LIBLAMMPS USE stuff TYPE(lammps) :: lmp TYPE(shield) :: my_shield lmp = lammps() CALL lmp%command('fix ext all external pf/callback 1 1') CALL lmp%set_fix_external_callback('ext', my_callback, my_shield) END PROGRAM example WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2800: ERROR: Unknown directive type "f:function". .. f:function:: fix_external_get_force(id) Get pointer to the force array storage in a fix external instance with the given ID. .. versionadded:: 22Dec2022 Fix :doc:`external ` allows programs that are running LAMMPS through its library interfaces to add or modify certain LAMMPS properties on specific time steps, similar to the way other fixes do. This function provides access to the per-atom force storage in a fix external instance with the given fix-ID to be added to the individual atoms when using the "pf/array" mode. The *fexternal* array can be accessed like other "native" per-atom arrays accessible via the :f:func:`extract_atom` function. Please note that the array stores the forces for *local* atoms for each MPI rank, in the order determined by the neighbor list build. Because the underlying data structures can change as well as the order of atom as they migrate between MPI processes because of the domain decomposition parallelization, this function should be always called immediately before the forces are going to be set to get an up-to-date pointer. You can use, for example, :f:func:`extract_setting` to obtain the number of local atoms `nlocal` and then assume the dimensions of the returned force array as ``REAL(c_double) :: force(3,nlocal)``. This function is an alternative to the callback mechanism in fix external set up by :f:subr:`set_fix_external_callback`. The main difference is that this mechanism can be used when forces are to be pre-computed and the control alternates between LAMMPS and the external driver, while the callback mechanism can call an external subroutine to compute the force when the fix is triggered and needs them. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: ID of :doc:`fix external ` instance :to: :cpp:func:`lammps_fix_external_get_force` :r fexternal: pointer to the per-atom force array allocated by the fix :rtype fexternal: real(c_double),dimension(3,nlocal) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2844: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_energy_global(id, eng) Set the global energy contribution for a :doc:`fix external ` instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:func:`set_fix_external_callback` and :f:func:`fix_external_get_force` that also sets the contribution to the global energy from the external program. The value of the *eng* argument will be stored in the fix and applied on the current and all following time steps until changed by another call to this function. The energy is in energy units as determined by the current :doc:`units ` settings and is the **total** energy of the contribution. Thus, when running in parallel, all MPI processes have to call this function with the **same** value, and this will be returned as a scalar property of the fix external instance when accessed in LAMMPS input commands or from variables. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p real(c_double) eng: total energy to be added to the global energy :to: :cpp:func:`lammps_fix_external_set_energy_global` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2872: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_virial_global(id, virial) Set the global virial contribution for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the contribution to the global virial from an external program. The six values of the *virial* array will be stored in the fix and applied on the current and all following time steps until changed by another call to this function. The components of the virial need to be stored in the following order: *xx*, *yy*, *zz*, *xy*, *xz*, *yz*. In LAMMPS, the virial is stored internally as `stress*volume` in units of `pressure*volume` as determined by the current :doc:`units ` settings and is the **total** contribution. Thus, when running in parallel, all MPI processes have to call this function with the **same** value, and this will then be added by fix external. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: fix ID of fix external instance :p real(c_double) virial [dimension(6)]: the six global stress tensor components to be added to the global virial :to: :cpp:func:`lammps_fix_external_set_virial_global` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2904: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_energy_peratom(id, eng) Set the per-atom energy contribution for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` to set the per-atom energy contribution due to the fix from the external program as part of the callback function. For this to work, the LAMMPS object must be passed as part of the *caller* argument when registering the callback function, or the callback function must otherwise have access to the LAMMPS object, such as through a module-based pointer. .. note:: This function is fully independent from :f:subr:`fix_external_set_energy_global` and will **NOT** add any contributions to the global energy tally and will **NOT** check whether the sum of the contributions added here are consistent with the global added energy. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: fix ID of the fix external instance :p real(c_double) eng [dimension(:)]: array of length *nlocal* containing the energy to add to the per-atom energy :to: :cpp:func:`lammps_fix_external_set_energy_peratom` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2937: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_fix_external_set_virial_peratom(id, virial) This is a companion function to :f:subr:`set_fix_external_callback` to set the per-atom virial contribution due to the fix from the external program as part of the callback function. For this to work, the LAMMPS object must be passed as the *caller* argument when registering the callback function. .. versionadded:: 22Dec2022 .. note:: This function is fully independent from :f:subr:`fix_external_set_virial_global` and will **NOT** add any contributions to the global virial tally and **NOT** check whether the sum of the contributions added here are consistent with the global added virial. The order and units of the per-atom stress tensor elements are the same as for the global virial. The type and dimensions of the per-atom virial array must be ``REAL(c_double), DIMENSION(6,nlocal)``. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p real(c_double) virial [dimension(:,:)]: an array of :math:`6 \times{}`\ *nlocal* components to be added to the per-atom virial :to: :cpp:func:`lammps_set_virial_peratom` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2969: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_vector_length(id, length) Set the vector length for a global vector stored with fix external for analysis. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the length of a global vector of properties that will be stored with the fix via :f:subr:`fix_external_set_vector`. This function needs to be called **before** a call to :f:subr:`fix_external_set_vector` and **before** a run or minimize command. When running in parallel, it must be called from **all** MPI processes with the same length argument. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p integer(c_int) length: length of the global vector to be stored with the fix :to: :cpp:func:`lammps_fix_external_set_vector_length` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2997: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_vector(id, idx, val) Store a global vector value for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the values of a global vector of properties that will be stored with the fix and can be accessed from within LAMMPS input commands (e.g., fix ave/time or variables) when used in a vector context. This function needs to be called **after** a call to :f:subr:`fix_external_set_vector_length` and **before** a run or minimize command. When running in parallel, it must be called from **all** MPI processes with the **same** *idx* and *val* parameters. The variable *val* is assumed to be extensive. .. note:: The index in the *idx* parameter is 1-based (i.e., the first element is set with *idx*\ :math:`{} = 1`, and the last element of the vector with *idx*\ :math:`{} = N`, where :math:`N` is the value of the *length* parameter of the call to :f:subr:`fix_external_set_vector_length`). Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: ID of fix external instance :p integer(c_int) idx: 1-based index in global vector :p integer(c_int) val: value to be stored in global vector at index *idx* :to: :cpp:func:`lammps_fix_external_set_vector` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3033: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: flush_buffers() This function calls :cpp:func:`lammps_flush_buffers`, which flushes buffered output to be written to screen and logfile. This can simplify capturing output from LAMMPS library calls. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_flush_buffers` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:3045: ERROR: Unknown directive type "f:function". .. f:function:: is_running() Check if LAMMPS is currently inside a run or minimization. .. versionadded:: 3Nov2022 This function can be used from signal handlers or multi-threaded applications to determine if the LAMMPS instance is currently active. :to: :cpp:func:`lammps_is_running` :r is_running: ``.FALSE.`` if idle or ``.TRUE.`` if active :rtype is_running: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3060: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: force_timeout() Force a timeout to stop an ongoing run cleanly. .. versionadded:: 3Nov2022 This function can be used from signal handlers or multi-threaded applications to terminate an ongoing run cleanly. :to: :cpp:func:`lammps_force_timeout` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:3073: ERROR: Unknown directive type "f:function". .. f:function:: has_error() Check if there is a (new) error message available. .. versionadded:: 3Nov2022 This function can be used to query if an error inside of LAMMPS has thrown a :ref:`C++ exception `. :to: :cpp:func:`lammps_has_error` :r has_error: ``.TRUE.`` if there is an error. :rtype has_error: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3088: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_last_error_message(buffer[,status]) Copy the last error message into the provided buffer. .. versionadded:: 3Nov2022 This function can be used to retrieve the error message that was set in the event of an error inside of LAMMPS that resulted in a :ref:`C++ exception `. A suitable buffer for a string has to be provided. If the internally-stored error message is longer than the string, it will be truncated accordingly. The optional argument *status* indicates the kind of error: a "1" indicates an error that occurred on all MPI ranks and is often recoverable, while a "2" indicates an abort that would happen only in a single MPI rank and thus may not be recoverable, as other MPI ranks may be waiting on the failing MPI rank(s) to send messages. :p character(len=\*) buffer: string buffer to copy the error message into :o integer(c_int) status [optional]: 1 when all ranks had the error, 2 on a single-rank error. :to: :cpp:func:`lammps_get_last_error_message` looking for now-outdated files... none found pickling environment... done checking consistency... done preparing documents... done copying assets... copying static files... done copying extra files... done done writing output... [ 6%] Build .. Errors_details writing output... [ 11%] Errors_messages .. 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[ 95%] JPG/coul_soft.jpg copying images... [ 96%] JPG/dreiding_hbond.jpg copying images... [ 96%] JPG/examples_edpd.jpg copying images... [ 97%] JPG/examples_mdpd.gif copying images... [ 98%] JPG/examples_mdpd_first.jpg copying images... [ 99%] JPG/examples_mdpd_last.jpg copying images... [ 99%] JPG/examples_tdpd.jpg copying images... [100%] JPG/WF_LJ.jpg dumping search index in English (code: en)... done dumping object inventory... done build succeeded, 200 warnings. The HTML pages are in html. Running Sphinx v7.2.6 Initializing Spelling Checker 7.7.0 loading pickled environment... done building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 1 source files that are out of date updating environment: 0 added, 1 changed, 0 removed reading sources... [100%] Fortran WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:1: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:4: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:43: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:64: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:64: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:func /<>/doc/src/Fortran.rst:133: ERROR: Unknown interpreted text role "f:func". WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:254: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:module /<>/doc/src/Fortran.rst:257: ERROR: Unknown directive type "f:module". .. f:module:: LIBLAMMPS WARNING: unknown directive or role name: f:mod /<>/doc/src/Fortran.rst:259: ERROR: Unknown interpreted text role "f:mod". WARNING: unknown directive or role name: f:currentmodule /<>/doc/src/Fortran.rst:262: ERROR: Unknown directive type "f:currentmodule". .. f:currentmodule:: None WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:264: ERROR: Unknown directive type "f:type". .. f:type:: lammps Derived type that is the general class of the Fortran interface. It holds a reference to the :cpp:class:`LAMMPS ` class instance to which any of the included calls are forwarded. :f handle: reference to the LAMMPS class :ftype handle: c_ptr :f style: derived type to access lammps style constants :ftype style: type(lammps_style) :f type: derived type to access lammps type constants :ftype type: type(lammps_type) :f dtype: derived type to access lammps data type constants :ftype dtype: type(lammps_dtype) :f close: :f:subr:`close` :ftype close: subroutine :f subroutine error: :f:subr:`error` :ftype error: subroutine :f file: :f:subr:`file` :ftype file: subroutine :f command: :f:subr:`command` :ftype command: subroutine :f commands_list: :f:subr:`commands_list` :ftype commands_list: subroutine :f commands_string: :f:subr:`commands_string` :ftype commands_string: subroutine :f get_natoms: :f:func:`get_natoms` :ftype get_natoms: function :f get_thermo: :f:func:`get_thermo` :ftype get_thermo: function :f last_thermo: :f:func:`last_thermo` :ftype last_thermo: function :f extract_box: :f:subr:`extract_box` :ftype extract_box: subroutine :f reset_box: :f:subr:`reset_box` :ftype reset_box: subroutine :f memory_usage: :f:subr:`memory_usage` :ftype memory_usage: subroutine :f get_mpi_comm: :f:func:`get_mpi_comm` :ftype get_mpi_comm: function :f extract_setting: :f:func:`extract_setting` :ftype extract_setting: function :f extract_global: :f:func:`extract_global` :ftype extract_global: function :f extract_atom: :f:func:`extract_atom` :ftype extract_atom: function :f extract_compute: :f:func:`extract_compute` :ftype extract_compute: function :f extract_fix: :f:func:`extract_fix` :ftype extract_fix: function :f extract_variable: :f:func:`extract_variable` :ftype extract_variable: function :f set_variable: :f:subr:`set_variable` :ftype set_variable: subroutine :f set_string_variable: :f:subr:`set_set_string_variable` :ftype set_string_variable: subroutine :f set_internal_variable: :f:subr:`set_internal_variable` :ftype set_internal_variable: subroutine :f gather_atoms: :f:subr:`gather_atoms` :ftype gather_atoms: subroutine :f gather_atoms_concat: :f:subr:`gather_atoms_concat` :ftype gather_atoms_concat: subroutine :f gather_atoms_subset: :f:subr:`gather_atoms_subset` :ftype gather_atoms_subset: subroutine :f scatter_atoms: :f:subr:`scatter_atoms` :ftype scatter_atoms: subroutine :f scatter_atoms_subset: :f:subr:`scatter_atoms_subset` :ftype scatter_atoms_subset: subroutine :f gather_bonds: :f:subr:`gather_bonds` :ftype gather_bonds: subroutine :f gather_angles: :f:subr:`gather_angles` :ftype gather_angles: subroutine :f gather_dihedrals: :f:subr:`gather_dihedrals` :ftype gather_dihedrals: subroutine :f gather_impropers: :f:subr:`gather_impropers` :ftype gather_impropers: subroutine :f gather: :f:subr:`gather` :ftype gather: subroutine :f gather_concat: :f:subr:`gather_concat` :ftype gather_concat: subroutine :f gather_subset: :f:subr:`gather_subset` :ftype gather_subset: subroutine :f scatter: :f:subr:`scatter` :ftype scatter: subroutine :f scatter_subset: :f:subr:`scatter_subset` :ftype scatter_subset: subroutine :f create_atoms: :f:subr:`create_atoms` :ftype create_atoms: subroutine :f find_pair_neighlist: :f:func:`find_pair_neighlist` :ftype find_pair_neighlist: function :f find_fix_neighlist: :f:func:`find_fix_neighlist` :ftype find_fix_neighlist: function :f find_compute_neighlist: :f:func:`find_compute_neighlist` :ftype find_compute_neighlist: function :f neighlist_num_elements: :f:func:`neighlist_num_elements` :ftype neighlist_num_elements: function :f neighlist_element_neighbors: :f:subr:`neighlist_element_neighbors` :ftype neighlist_element_neighbors: subroutine :f version: :f:func:`version` :ftype version: function :f get_os_info: :f:subr:`get_os_info` :ftype get_os_info: subroutine :f config_has_mpi_support: :f:func:`config_has_mpi_support` :ftype config_has_mpi_support: function :f config_has_gzip_support: :f:func:`config_has_gzip_support` :ftype config_has_gzip_support: function :f config_has_png_support: :f:func:`config_has_png_support` :ftype config_has_png_support: function :f config_has_jpeg_support: :f:func:`config_has_jpeg_support` :ftype config_has_jpeg_support: function :f config_has_ffmpeg_support: :f:func:`config_has_ffmpeg_support` :ftype config_has_ffmpeg_support: function :f config_has_exceptions: :f:func:`config_has_exceptions` :ftype config_has_exceptions: function :f config_has_package: :f:func:`config_has_package` :ftype config_has_package: function :f config_package_count: :f:func:`config_package_count` :ftype config_package_count: function :f config_package_name: :f:func:`config_package_name` :ftype config_package_name: function :f installed_packages: :f:subr:`installed_packages` :ftype installed_packages: subroutine :f config_accelerator: :f:func:`config_accelerator` :ftype config_accelerator: function :f has_gpu_device: :f:func:`has_gpu_device` :ftype has_gpu_device: function :f get_gpu_device_info: :f:subr:`get_gpu_device_info` :ftype get_gpu_device_info: subroutine :f has_style: :f:func:`has_style` :ftype has_style: function :f style_count: :f:func:`style_count` :ftype style_count: function :f style_name: :f:func:`style_name` :ftype style_name: function :f has_id: :f:func:`has_id` :ftype has_id: function :f id_count: :f:func:`id_count` :ftype id_count: function :f id_name: :f:subr:`id_name` :ftype id_name: subroutine :f plugin_count: :f:func:`plugin_count` :ftype plugin_count: function :f plugin_name: :f:subr:`plugin_name` :ftype plugin_count: subroutine :f encode_image_flags: :f:func:`encode_image_flags` :ftype encode_image_flags: function :f decode_image_flags: :f:subr:`decode_image_flags` :ftype decode_image_flags: subroutine :f set_fix_external_callback: :f:subr:`set_fix_external_callback` :ftype set_fix_external_callback: subroutine :f fix_external_get_force: :f:func:`fix_external_get_force` :ftype fix_external_get_force: function :f fix_external_set_energy_global: :f:subr:`fix_external_set_energy_global` :ftype fix_external_set_energy_global: subroutine :f fix_external_set_virial_global: :f:subr:`fix_external_set_virial_global` :ftype fix_external_set_virial_global: subroutine :f fix_external_set_energy_peratom: :f:subr:`fix_external_set_energy_peratom` :ftype fix_external_set_energy_peratom: subroutine :f fix_external_set_virial_peratom: :f:subr:`fix_external_set_virial_peratom` :ftype fix_external_set_virial_peratom: subroutine :f fix_external_set_vector_length: :f:subr:`fix_external_set_vector_length` :ftype fix_external_set_vector_length: subroutine :f fix_external_set_vector: :f:subr:`fix_external_set_vector` :ftype fix_external_set_vector: subroutine :f flush_buffers: :f:subr:`flush_buffers` :ftype flush_buffers: subroutine :f is_running: :f:func:`is_running` :ftype is_running: function :f force_timeout: :f:subr:`force_timeout` :ftype force_timeout: subroutine :f has_error: :f:func:`has_error` :ftype has_error: function :f get_last_error_message: :f:subr:`get_last_error_message` :ftype get_last_error_message: subroutine WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:441: ERROR: Unknown directive type "f:function". .. f:function:: lammps([args][,comm]) This is the constructor for the Fortran class and will forward the arguments to a call to either :cpp:func:`lammps_open_fortran` or :cpp:func:`lammps_open_no_mpi`. If the LAMMPS library has been compiled with MPI support, it will also initialize MPI, if it has not already been initialized before. The *args* argument with the list of command line parameters is optional and so it the *comm* argument with the MPI communicator. If *comm* is not provided, ``MPI_COMM_WORLD`` is assumed. For more details please see the documentation of :cpp:func:`lammps_open`. :o args: arguments as list of strings :otype args: character(len=\*),dimension(:),optional :o comm: MPI communicator :otype comm: integer,optional :to: :cpp:func:`lammps_open_fortran` :to: :cpp:func:`lammps_open_no_mpi` :r lammps: an instance of the :f:type:`lammps` derived type .. note:: The :f:mod:`MPI_F08` module, which defines Fortran 2008 bindings for MPI, is not directly supported by this interface due to the complexities of supporting both the :f:mod:`MPI_F08` and :f:mod:`MPI` modules at the same time. However, you should be able to use the ``MPI_VAL`` member of the ``MPI_comm`` derived type to access the integer value of the communicator, such as in .. code-block:: fortran PROGRAM testmpi USE LIBLAMMPS USE MPI_F08 TYPE(lammps) :: lmp lmp = lammps(comm=MPI_COMM_SELF%MPI_VAL) END PROGRAM testmpi WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:480: ERROR: Unknown directive type "f:type". .. f:type:: lammps_style This derived type is there to provide a convenient interface for the style constants used with :f:func:`extract_compute`, :f:func:`extract_fix`, and :f:func:`extract_variable`. Assuming your LAMMPS instance is called ``lmp``, these constants will be ``lmp%style%global``, ``lmp%style%atom``, and ``lmp%style%local``. These values are identical to the values described in :cpp:enum:`_LMP_STYLE_CONST` for the C library interface. :f integer(c_int) global: used to request global data :f integer(c_int) atom: used to request per-atom data :f integer(c_int) local: used to request local data WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:493: ERROR: Unknown directive type "f:type". .. f:type:: lammps_type This derived type is there to provide a convenient interface for the type constants used with :f:func:`extract_compute`, :f:func:`extract_fix`, and :f:func:`extract_variable`. Assuming your LAMMPS instance is called ``lmp``, these constants will be ``lmp%type%scalar``, ``lmp%type%vector``, and ``lmp%type%array``. These values are identical to the values described in :cpp:enum:`_LMP_TYPE_CONST` for the C library interface. :f integer(c_int) scalar: used to request scalars :f integer(c_int) vector: used to request vectors :f integer(c_int) array: used to request arrays (matrices) WARNING: unknown directive or role name: f:type /<>/doc/src/Fortran.rst:506: ERROR: Unknown interpreted text role "f:type". WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:509: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: close([finalize]) This method will close down the LAMMPS instance through calling :cpp:func:`lammps_close`. If the *finalize* argument is present and has a value of ``.TRUE.``, then this subroutine also calls :cpp:func:`lammps_kokkos_finalize` and :cpp:func:`lammps_mpi_finalize`. :o finalize: shut down the MPI environment of the LAMMPS library if ``.TRUE.``. :otype finalize: logical,optional :to: :cpp:func:`lammps_close` :to: :cpp:func:`lammps_mpi_finalize` :to: :cpp:func:`lammps_kokkos_finalize` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:526: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: error(error_type, error_text) This method is a wrapper around the :cpp:func:`lammps_error` function and will dispatch an error through the LAMMPS Error class. .. versionadded:: 3Nov2022 :p error_type: constant to select which Error class function to call :ptype error_type: integer(c_int) :p character(len=\*) error_text: error message :to: :cpp:func:`lammps_error` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:540: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: file(filename) This method will call :cpp:func:`lammps_file` to have LAMMPS read and process commands from a file. :p character(len=\*) filename: name of file with LAMMPS commands :to: :cpp:func:`lammps_file` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:550: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: command(cmd) This method will call :cpp:func:`lammps_command` to have LAMMPS execute a single command. :p character(len=\*) cmd: single LAMMPS command :to: :cpp:func:`lammps_command` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:560: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: commands_list(cmds) This method will call :cpp:func:`lammps_commands_list` to have LAMMPS execute a list of input lines. :p character(len=\*) cmd [dimension(:)]: list of LAMMPS input lines :to: :cpp:func:`lammps_commands_list` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:570: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: commands_string(str) This method will call :cpp:func:`lammps_commands_string` to have LAMMPS execute a block of commands from a string. :p character(len=\*) str: LAMMPS input in string :to: :cpp:func:`lammps_commands_string` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:580: ERROR: Unknown directive type "f:function". .. f:function:: get_natoms() This function will call :cpp:func:`lammps_get_natoms` and return the number of atoms in the system. :to: :cpp:func:`lammps_get_natoms` :r real(c_double) natoms: number of atoms .. note:: If you would prefer to get the number of atoms in its native format (i.e., as a 32- or 64-bit integer, depending on how LAMMPS was compiled), this can be extracted with :f:func:`extract_global`. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:596: ERROR: Unknown directive type "f:function". .. f:function:: get_thermo(name) This function will call :cpp:func:`lammps_get_thermo` and return the value of the corresponding thermodynamic keyword. .. versionadded:: 3Nov2022 :p character(len=\*) name: string with the name of the thermo keyword :to: :cpp:func:`lammps_get_thermo` :r value [real(c_double)]: value of the requested thermo property or `0.0_c_double` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:609: ERROR: Unknown directive type "f:function". .. f:function:: last_thermo(what, index) This function will call :cpp:func:`lammps_last_thermo` and returns either a string or a pointer to a cached copy of LAMMPS last thermodynamic output, depending on the data requested through *what*. Note that *index* uses 1-based indexing to access thermo output columns. .. versionadded:: 15Jun2023 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data (with the exception of string data, which are copied and returned as ordinary Fortran strings). Pointers must be of the correct data type to point to said data (typically ``INTEGER(c_int)``, ``INTEGER(c_int64_t)``, or ``REAL(c_double)``). The pointer being associated with LAMMPS data is type-checked at run-time via an overloaded assignment operator. The pointers returned by this function point to temporary, read-only data that may be overwritten at any time, so their target values need to be copied to local storage if they are supposed to persist. For example, .. code-block:: fortran PROGRAM thermo USE LIBLAMMPS USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_double, c_int64_t, c_int TYPE(lammps) :: lmp INTEGER(KIND=c_int64_t), POINTER :: ntimestep, bval REAL(KIND=c_double), POINTER :: dval INTEGER(KIND=c_int), POINTER :: nfield, typ, ival INTEGER(KIND=c_int) :: i CHARACTER(LEN=11) :: key lmp = lammps() CALL lmp%file('in.sysinit') ntimestep = lmp%last_thermo('step', 0) nfield = lmp%last_thermo('num', 0) PRINT*, 'Last thermo output on step: ', ntimestep, ' Number of fields: ', nfield DO i=1, nfield key = lmp%last_thermo('keyword',i) typ = lmp%last_thermo('type',i) IF (typ == lmp%dtype%i32) THEN ival = lmp%last_thermo('data',i) PRINT*, key, ':', ival ELSE IF (typ == lmp%dtype%i64) THEN bval = lmp%last_thermo('data',i) PRINT*, key, ':', bval ELSE IF (typ == lmp%dtype%r64) THEN dval = lmp%last_thermo('data',i) PRINT*, key, ':', dval END IF END DO CALL lmp%close(.TRUE.) END PROGRAM thermo would extract the last timestep where thermo output was done and the number of columns it printed. Then it loops over the columns to print out column header keywords and the corresponding data. .. note:: If :f:func:`last_thermo` returns a string, the string must have a length greater than or equal to the length of the string (not including the terminal ``NULL`` character) that LAMMPS returns. If the variable's length is too short, the string will be truncated. As usual in Fortran, strings are padded with spaces at the end. If you use an allocatable string, the string **must be allocated** prior to calling this function. :p character(len=\*) what: string with the name of the thermo keyword :p integer(c_int) index: 1-based column index :to: :cpp:func:`lammps_last_thermo` :r pointer [polymorphic]: pointer to LAMMPS data. The left-hand side of the assignment should be either a string (if expecting string data) or a C-compatible pointer (e.g., ``INTEGER(c_int), POINTER :: nlocal``) to the extracted property. .. warning:: Modifying the data in the location pointed to by the returned pointer may lead to inconsistent internal data and thus may cause failures, crashes, or bogus simulations. In general, it is much better to use a LAMMPS input command that sets or changes these parameters. Using an input command will take care of all side effects and necessary updates of settings derived from such settings. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:699: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: extract_box([boxlo][, boxhi][, xy][, yz][, xz][, pflags][, boxflag]) This subroutine will call :cpp:func:`lammps_extract_box`. All parameters are optional, though obviously at least one should be present. The parameters *pflags* and *boxflag* are stored in LAMMPS as integers, but should be declared as ``LOGICAL`` variables when calling from Fortran. .. versionadded:: 3Nov2022 :o real(c_double) boxlo [dimension(3),optional]: vector in which to store lower-bounds of simulation box :o real(c_double) boxhi [dimension(3),optional]: vector in which to store upper-bounds of simulation box :o real(c_double) xy [optional]: variable in which to store *xy* tilt factor :o real(c_double) yz [optional]: variable in which to store *yz* tilt factor :o real(c_double) xz [optional]: variable in which to store *xz* tilt factor :o pflags: vector in which to store periodicity flags (``.TRUE.`` means periodic in that dimension) :otype pflags: logical,dimension(3),optional :o boxflag: variable in which to store boolean denoting whether the box will change during a simulation (``.TRUE.`` means box will change) :otype boxflag: logical,optional :to: :cpp:func:`lammps_extract_box` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:741: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: reset_box(boxlo, boxhi, xy, yz, xz) This subroutine will call :cpp:func:`lammps_reset_box`. All parameters are required. .. versionadded:: 3Nov2022 :p real(c_double) boxlo [dimension(3)]: vector of three doubles containing the lower box boundary :p real(c_double) boxhi [dimension(3)]: vector of three doubles containing the upper box boundary :p real(c_double) xy: *x--y* tilt factor :p real(c_double) yz: *y--z* tilt factor :p real(c_double) xz: *x--z* tilt factor :to: :cpp:func:`lammps_reset_box` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:759: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: memory_usage(meminfo) This subroutine will call :cpp:func:`lammps_memory_usage` and store the result in the three-element array *meminfo*. .. versionadded:: 3Nov2022 :p real(c_double) meminfo [dimension(3)]: vector of three doubles in which to store memory usage data :to: :cpp:func:`lammps_memory_usage` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:772: ERROR: Unknown directive type "f:function". .. f:function:: get_mpi_comm() This function returns a Fortran representation of the LAMMPS "world" communicator. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_get_mpi_comm` :r comm: Fortran integer equivalent to the MPI communicator LAMMPS is using :rtype comm: integer .. note:: The C library interface currently returns type ``int`` instead of type ``MPI_Fint``, which is the C type corresponding to Fortran ``INTEGER`` types of the default kind. On most compilers, these are the same anyway, but this interface exchanges values this way to avoid warning messages. .. note:: The :f:mod:`MPI_F08` module, which defines Fortran 2008 bindings for MPI, is not directly supported by this function. However, you should be able to convert between the two using the `MPI_VAL` member of the communicator. For example, .. code-block:: fortran USE MPI_F08 USE LIBLAMMPS TYPE(lammps) :: lmp TYPE(MPI_Comm) :: comm ! ... [commands to set up LAMMPS/etc.] comm%MPI_VAL = lmp%get_mpi_comm() should assign an :f:mod:`MPI_F08` communicator properly. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:812: ERROR: Unknown directive type "f:function". .. f:function:: extract_setting(keyword) Query LAMMPS about global settings. See the documentation for the :cpp:func:`lammps_extract_setting` function from the C library. .. versionadded:: 3Nov2022 :p character(len=\*) keyword: string containing the name of the thermo keyword :to: :cpp:func:`lammps_extract_setting` :r integer(c_int) setting: value of the queried setting or :math:`-1` if unknown WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:826: ERROR: Unknown directive type "f:function". .. f:function:: extract_global(name) This function calls :cpp:func:`lammps_extract_global` and returns either a string or a pointer to internal global LAMMPS data, depending on the data requested through *name*. .. versionadded:: 3Nov2022 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data (with the exception of string data, which are copied and returned as ordinary Fortran strings). Pointers must be of the correct data type to point to said data (typically ``INTEGER(c_int)``, ``INTEGER(c_int64_t)``, or ``REAL(c_double)``) and have compatible kind and rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. The pointers returned by this function are generally persistent; therefore it is not necessary to call the function again unless a :doc:`clear` command has been issued, which wipes out and recreates the contents of the :cpp:class:`LAMMPS ` class. For example, .. code-block:: fortran PROGRAM demo USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int64_t, c_int, c_double USE LIBLAMMPS TYPE(lammps) :: lmp INTEGER(c_int), POINTER :: nlocal => NULL() INTEGER(c_int64_t), POINTER :: ntimestep => NULL() REAL(c_double), POINTER :: dt => NULL() CHARACTER(LEN=10) :: units lmp = lammps() ! other commands nlocal = lmp%extract_global('nlocal') ntimestep = lmp%extract_global('ntimestep') dt = lmp%extract_global('dt') units = lmp%extract_global('units') ! more commands lmp.close(.TRUE.) END PROGRAM demo would extract the number of atoms on this processor, the current time step, the size of the current time step, and the units being used into the variables *nlocal*, *ntimestep*, *dt*, and *units*, respectively. .. note:: If :f:func:`extract_global` returns a string, the string must have a length greater than or equal to the length of the string (not including the terminal ``NULL`` character) that LAMMPS returns. If the variable's length is too short, the string will be truncated. As usual in Fortran, strings are padded with spaces at the end. If you use an allocatable string, the string **must be allocated** prior to calling this function, but you can automatically reallocate it to the correct length after the function returns, viz., .. code-block :: fortran PROGRAM test USE LIBLAMMPS TYPE(lammps) :: lmp CHARACTER(LEN=:), ALLOCATABLE :: str lmp = lammps() CALL lmp%command('units metal') ALLOCATE(CHARACTER(LEN=80) :: str) str = lmp%extract_global('units') str = TRIM(str) ! re-allocates to length len_trim(str) here PRINT*, LEN(str), LEN_TRIM(str) END PROGRAM test will print the number 5 (the length of the word "metal") twice. :p character(len=\*) name: string with the name of the property to extract :to: :cpp:func:`lammps_extract_global` :r pointer [polymorphic]: pointer to LAMMPS data. The left-hand side of the assignment should be either a string (if expecting string data) or a C-compatible pointer (e.g., ``INTEGER(c_int), POINTER :: nlocal``) to the extracted property. If expecting vector data, the pointer should have dimension ":". .. warning:: Modifying the data in the location pointed to by the returned pointer may lead to inconsistent internal data and thus may cause failures, crashes, or bogus simulations. In general, it is much better to use a LAMMPS input command that sets or changes these parameters. Using an input command will take care of all side effects and necessary updates of settings derived from such settings. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:921: ERROR: Unknown directive type "f:function". .. f:function:: extract_atom(name) This function calls :cpp:func:`lammps_extract_atom` and returns a pointer to LAMMPS data tied to the :cpp:class:`Atom` class, depending on the data requested through *name*. .. versionadded:: 3Nov2022 Note that this function actually does not return a pointer, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct type, kind, and rank (e.g., ``INTEGER(c_int), DIMENSION(:)`` for "type", "mask", or "id"; ``INTEGER(c_int64_t), DIMENSION(:)`` for "id" if LAMMPS was compiled with the ``-DLAMMPS_BIGBIG`` flag; ``REAL(c_double), DIMENSION(:,:)`` for "x", "v", or "f"; and so forth). The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time. :p character(len=\*) name: string with the name of the property to extract :to: :cpp:func:`lammps_extract_atom` :r pointer: pointer to LAMMPS data. The left-hand side of the assignment should be a C-interoperable pointer of appropriate kind and rank (e.g., ``INTEGER(c_int), POINTER :: mask(:)``) to the extracted property. If expecting vector data, the pointer should have dimension ":"; if expecting matrix data, the pointer should have dimension ":,:". :rtype pointer: polymorphic .. warning:: Pointers returned by this function are generally not persistent, as per-atom data may be redistributed, reallocated, and reordered at every re-neighboring operation. It is advisable to re-bind pointers using :f:func:`extract_atom` between runs. .. admonition:: Array index order Two-dimensional arrays returned from :f:func:`extract_atom` will be **transposed** from equivalent arrays in C, and they will be indexed from 1 instead of 0. For example, in C, .. code-block:: c void *lmp; double **x; /* more code to setup, etc. */ x = lammps_extract_atom(lmp, "x"); printf("%f\n", x[5][1]); will print the *y*-coordinate of the sixth atom on this processor. Conversely, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:,:), POINTER :: x => NULL() ! more code to setup, etc. x = lmp%extract_atom("x") PRINT '(f0.6)', x(2,6) will print the *y*-coordinate of the sixth atom on this processor (note the transposition of the two indices). This is not a choice, but rather a consequence of the different conventions adopted by the Fortran and C standards decades ago: in C, the block of data .. parsed-literal:: 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 interpreted as a :math:`4\times4` matrix would be .. math:: \begin{bmatrix} 1 & 2 & 3 & 4 \\ 5 & 6 & 7 & 8 \\ 9 & 10 & 11 & 12 \\ 13 & 14 & 15 & 16 \end{bmatrix}, that is, in row-major order. In Fortran, the same block of data is interpreted in column-major order, namely, .. math:: \begin{bmatrix} 1 & 5 & 9 & 13 \\ 2 & 6 & 10 & 14 \\ 3 & 7 & 11 & 15 \\ 4 & 8 & 12 & 16 \end{bmatrix}. This difference in interpretation of the same block of data by the two languages means, in effect, that matrices from C or C++ will be transposed when interpreted in Fortran. .. note:: If you would like the indices to start at 0 instead of 1 (which follows typical notation in C and C++, but not Fortran), you can create another pointer and associate it thus: .. code-block:: fortran REAL(c_double), DIMENSION(:,:), POINTER :: x, x0 x = lmp%extract_atom("x") x0(0:,0:) => x The above would cause the dimensions of *x* to be (1:3, 1:nmax) and those of *x0* to be (0:2, 0:nmax\ :math:`-`\ 1). WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1032: ERROR: Unknown directive type "f:function". .. f:function:: extract_compute(id, style, type) This function calls :cpp:func:`lammps_extract_compute` and returns a pointer to LAMMPS data tied to the :cpp:class:`Compute` class, specifically data provided by the compute identified by *id*. Computes may provide global, per-atom, or local data, and those data may be a scalar, a vector, or an array. Since computes may provide multiple kinds of data, the user is required to specify which set of data is to be returned through the *style* and *type* variables. .. versionadded:: 3Nov2022 Note that this function actually does not return a value, but rather associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct data type to point to said data (i.e., ``REAL(c_double)``) and have compatible rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: COM ! code to setup, create atoms, etc. CALL lmp%command('compute COM all com') COM = lmp%extract_compute('COM', lmp%style%global, lmp%style%type) will bind the variable *COM* to the center of mass of the atoms created in your simulation. The vector in this case has length 3; the length (or, in the case of array data, the number of rows and columns) is determined for you based on data from the :cpp:class:`Compute` class. .. admonition:: Array index order Two-dimensional arrays returned from :f:func:`extract_compute` will be **transposed** from equivalent arrays in C, and they will be indexed from 1 instead of 0. See the note at :f:func:`extract_atom` for further details. The following combinations are possible (assuming ``lmp`` is the name of your LAMMPS instance): .. list-table:: :header-rows: 1 :widths: auto * - Style - Type - Type to assign to - Returned data * - ``lmp%style%global`` - ``lmp%type%scalar`` - ``REAL(c_double), POINTER`` - Global scalar * - ``lmp%style%global`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Global vector * - ``lmp%style%global`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Global array * - ``lmp%style%atom`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%atom`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array * - ``lmp%style%local`` - ``lmp%type%vector`` - ``REAL(c_double), DIMENSION(:), POINTER`` - Local vector * - ``lmp%style%local`` - ``lmp%type%array`` - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Local array :p character(len=\*) id: compute ID from which to extract data :p integer(c_int) style: value indicating the style of data to extract (global, per-atom, or local) :p integer(c_int) type: value indicating the type of data to extract (scalar, vector, or array) :to: :cpp:func:`lammps_extract_compute` :r pointer: pointer to LAMMPS data. The left-hand side of the assignment should be a C-compatible pointer (e.g., ``REAL(c_double), POINTER :: x``) to the extracted property. If expecting vector data, the pointer should have dimension ":"; if expecting array (matrix) data, the pointer should have dimension ":,:". :rtype pointer: polymorphic .. note:: If the compute's data are not already computed for the current step, the compute will be invoked. LAMMPS cannot easily check at that time if it is valid to invoke a compute, so it may fail with an error. The caller has to check to avoid such an error. .. warning:: The pointers returned by this function are generally not persistent, since the computed data may be re-distributed, re-allocated, and re-ordered at every invocation. It is advisable to re-invoke this function before the data are accessed or make a copy if the data are to be used after other LAMMPS commands have been issued. Do **not** modify the data returned by this function. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1144: ERROR: Unknown directive type "f:function". .. f:function:: extract_fix(id, style, type[, nrow][, ncol]) This function calls :cpp:func:`lammps_extract_fix` and returns a pointer to LAMMPS data tied to the :cpp:class:`Fix` class, specifically data provided by the fix identified by *id*. Fixes may provide global, per-atom, or local data, and those data may be a scalar, a vector, or an array. Since many fixes provide multiple kinds of data, the user is required to specify which set of data is to be returned through the *style* and *type* variables. .. versionadded:: 3Nov2022 Global data are calculated at the time they are requested and are only available element-by-element. As such, the user is expected to provide the *nrow* variable to specify which element of a global vector or the *nrow* and *ncol* variables to specify which element of a global array the user wishes LAMMPS to return. The *ncol* variable is optional for global scalar or vector data, and both *nrow* and *ncol* are optional when a global scalar is requested, as well as when per-atom or local data are requested. The following combinations are possible (assuming ``lmp`` is the name of your LAMMPS instance): .. list-table:: :header-rows: 1 :widths: auto * - Style - Type - nrow - ncol - Type to assign to - Returned data * - ``lmp%style%global`` - ``lmp%type%scalar`` - Ignored - Ignored - ``REAL(c_double)`` - Global scalar * - ``lmp%style%global`` - ``lmp%type%vector`` - Required - Ignored - ``REAL(c_double)`` - Element of global vector * - ``lmp%style%global`` - ``lmp%type%array`` - Required - Required - ``REAL(c_double)`` - Element of global array * - ``lmp%style%atom`` - ``lmp%type%scalar`` - - - - (not allowed) * - ``lmp%style%atom`` - ``lmp%type%vector`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%atom`` - ``lmp%type%array`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array * - ``lmp%style%local`` - ``lmp%type%scalar`` - - - - (not allowed) * - ``lmp%style%local`` - ``lmp%type%vector`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:), POINTER`` - Per-atom vector * - ``lmp%style%local`` - ``lmp%type%array`` - Ignored - Ignored - ``REAL(c_double), DIMENSION(:,:), POINTER`` - Per-atom array In the case of global data, this function returns a value of type ``REAL(c_double)``. For per-atom or local data, this function does not return a value but instead associates the pointer on the left side of the assignment to point to internal LAMMPS data. Pointers must be of the correct type and kind to point to said data (i.e., ``REAL(c_double)``) and have compatible rank. The pointer being associated with LAMMPS data is type-, kind-, and rank-checked at run-time via an overloaded assignment operator. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double) :: dr, dx, dy, dz ! more code to set up, etc. lmp%command('fix george all recenter 2 2 2') ! more code dr = lmp%extract_fix("george", lmp%style%global, lmp%style%scalar) dx = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 1) dy = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 2) dz = lmp%extract_fix("george", lmp%style%global, lmp%style%vector, 3) will extract the global scalar calculated by :doc:`fix recenter ` into the variable *dr* and the three elements of the global vector calculated by fix recenter into the variables *dx*, *dy*, and *dz*, respectively. If asked for per-atom or local data, :f:func:`extract_compute` returns a pointer to actual LAMMPS data. The pointer so returned will have the appropriate size to match the internal data, and will be type/kind/rank-checked at the time of the assignment. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: r ! more code to set up, etc. lmp%command('fix state all store/state 0 x y z') ! more code r = lmp%extract_fix('state', lmp%style%atom, lmp%type%array) will bind the pointer *r* to internal LAMMPS data representing the per-atom array computed by :doc:`fix store/state ` when three inputs are specified. Similarly, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), POINTER :: x ! more code to set up, etc. lmp%command('fix state all store/state 0 x') ! more code x = lmp%extract_fix('state', lmp%style%atom, lmp%type%vector) will associate the pointer *x* with internal LAMMPS data corresponding to the per-atom vector computed by :doc:`fix store/state ` when only one input is specified. Similar examples with ``lmp%style%atom`` replaced by ``lmp%style%local`` will extract local data from fixes that define local vectors and/or arrays. .. warning:: The pointers returned by this function for per-atom or local data are generally not persistent, since the computed data may be redistributed, reallocated, and reordered at every invocation of the fix. It is thus advisable to re-invoke this function before the data are accessed or to make a copy if the data are to be used after other LAMMPS commands have been issued. .. note:: LAMMPS cannot easily check if it is valid to access the data, so it may fail with an error. The caller has to avoid such an error. :p character(len=\*) id: string with the name of the fix from which to extract data :p integer(c_int) style: value indicating the style of data to extract (global, per-atom, or local) :p integer(c_int) type: value indicating the type of data to extract (scalar, vector, or array) :p integer(c_int) nrow: row index (used only for global vectors and arrays) :p integer(c_int) ncol: column index (only used for global arrays) :to: :cpp:func:`lammps_extract_fix` :r data: LAMMPS data (for global data) or a pointer to LAMMPS data (for per-atom or local data). The left-hand side of the assignment should be of type ``REAL(c_double)`` and have appropriate rank (i.e., ``DIMENSION(:)`` if expecting per-atom or local vector data and ``DIMENSION(:,:)`` if expecting per-atom or local array data). If expecting local or per-atom data, it should have the ``POINTER`` attribute, but if expecting global data, it should be an ordinary (non-``POINTER``) variable. :rtype data: polymorphic .. admonition:: Array index order Two-dimensional global, per-atom, or local array data from :f:func:`extract_fix` will be **transposed** from equivalent arrays in C (or in the ordinary LAMMPS interface accessed through thermodynamic output), and they will be indexed from 1, not 0. This is true even for global data, which are returned as scalars---this is done primarily so the interface is consistent, as there is no choice but to transpose the indices for per-atom or local array data. See the similar note under :f:func:`extract_atom` for further details. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:1337: ERROR: Unknown directive type "f:function". .. f:function:: extract_variable(name[,group]) This function calls :cpp:func:`lammps_extract_variable` and returns a scalar, vector, or string containing the value of the variable identified by *name*. When the variable is an *equal*-style variable (or one compatible with that style such as *internal*), the variable is evaluated and the corresponding value returned. When the variable is an *atom*-style variable, the variable is evaluated and a vector of values is returned. With all other variables, a string is returned. The *group* argument is only used for *atom* style variables and is ignored otherwise. If *group* is absent for *atom*-style variables, the group is assumed to be "all". .. versionadded:: 3Nov2022 This function returns the values of the variables, not pointers to them. Vectors pointing to *atom*-style variables should be of type ``REAL(c_double)``, be of rank 1 (i.e., ``DIMENSION(:)``), and have the ``ALLOCATABLE`` attribute. .. note:: Unlike the C library interface, the Fortran interface does not require you to deallocate memory when you are through; this is done for you, behind the scenes. For example, .. code-block:: fortran TYPE(lammps) :: lmp REAL(c_double) :: area ! more code to set up, etc. lmp%command('variable A equal lx*ly') ! more code area = lmp%extract_variable("A") will extract the *x*\ --*y* cross-sectional area of the simulation into the variable *area*. :p character(len=\*) name: variable name to evaluate :o character(len=\*) group [optional]: group for which to extract per-atom data (if absent, use "all") :to: :cpp:func:`lammps_extract_variable` :r data: scalar of type ``REAL(c_double)`` (for *equal*-style variables and others that are *equal*-compatible), vector of type ``REAL(c_double), DIMENSION(:), ALLOCATABLE`` for *atom*- or *vector*-style variables, or ``CHARACTER(LEN=*)`` for *string*-style and compatible variables. Strings whose length is too short to hold the result will be truncated. Allocatable strings must be allocated before this function is called; see note at :f:func:`extract_global` regarding allocatable strings. Allocatable arrays (for *atom*- and *vector*-style data) will be reallocated on assignment. :rtype data: polymorphic WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1401: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_variable(name, str) Set the value of a string-style variable. .. deprecated:: 7Feb2024 This function assigns a new value from the string *str* to the string-style variable *name*\ . If *name* does not exist or is not a string-style variable, an error is generated. .. warning:: This subroutine is deprecated and :f:subr:`set_string_variable` should be used instead. :p character(len=*) name: name of the variable :p character(len=*) str: new value to assign to the variable :to: :cpp:func:`lammps_set_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1422: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_string_variable(name, str) Set the value of a string-style variable. .. versionadded:: 7Feb2024 This function assigns a new value from the string *str* to the string-style variable *name*\ . If *name* does not exist or is not a string-style variable, an error is generated. :p character(len=*) name: name of the variable :p character(len=*) str: new value to assign to the variable :to: :cpp:func:`lammps_set_string_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1438: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_internal_variable(name, val) Set the value of a internal-style variable. .. versionadded:: 7Feb2024 This function assigns a new value from the floating-point number *val* to the internal-style variable *name*\ . If *name* does not exist or is not an internal-style variable, an error is generated. :p character(len=*) name: name of the variable :p read(c_double) val: new value to assign to the variable :to: :cpp:func:`lammps_set_internal_variable` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1454: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms(name, count, data) This function calls :cpp:func:`lammps_gather_atoms` to gather the named atom-based entity for all atoms on all processors and return it in the vector *data*. The vector *data* will be ordered by atom ID, which requires consecutive atom IDs (1 to *natoms*). .. versionadded:: 3Nov2022 If you need a similar array but have non-consecutive atom IDs, see :f:func:`gather_atoms_concat`; for a similar array but for a subset of atoms, see :f:func:`gather_atoms_subset`. The *data* array will be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count* :math:`\times` *natoms*), as queried by :f:func:`get_natoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms` .. note:: If you want data from this function to be accessible as a two-dimensional array, you can declare a rank-2 pointer and reassign it, like so: .. code-block:: fortran USE, INTRINSIC :: ISO_C_BINDING USE LIBLAMMPS TYPE(lammps) :: lmp REAL(c_double), DIMENSION(:), ALLOCATABLE, TARGET :: xdata REAL(c_double), DIMENSION(:,:), POINTER :: x ! other code to set up, etc. CALL lmp%gather_atoms('x',3,xdata) x(1:3,1:size(xdata)/3) => xdata You can then access the *y*\ -component of atom 3 with ``x(2,3)``. See the note about array index order at :f:func:`extract_atom`. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1511: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms_concat(name, count, data) This function calls :cpp:func:`lammps_gather_atoms_concat` to gather the named atom-based entity for all atoms on all processors and return it in the vector *data*. .. versionadded:: 3Nov2022 The vector *data* will not be ordered by atom ID, and there is no restriction on the IDs being consecutive. If you need the IDs, you can do another :f:func:`gather_atoms_concat` with *name* set to ``id``. If you need a similar array but have consecutive atom IDs, see :f:func:`gather_atoms`; for a similar array but for a subset of atoms, see :f:func:`gather_atoms_subset`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms_concat` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1545: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_atoms_subset(name, count, ids, data) This function calls :cpp:func:`lammps_gather_atoms_subset` to gather the named atom-based entity for the atoms in the array *ids* from all processors and return it in the vector *data*. .. versionadded:: 3Nov2022 This subroutine gathers data for the requested atom IDs and stores them in a one-dimensional allocatable array. The data will be ordered by atom ID, but there is no requirement that the IDs be consecutive. If you wish to return a similar array for *all* the atoms, use :f:func:`gather_atoms` or :f:func:`gather_atoms_concat`. The *data* array will be in groups of *count* values, sorted by atom ID in the same order as the array *ids* (e.g., if *name* is *x*, *count* = 3, and *ids* is [100, 57, 210], then *data* might look like [*x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57), *x*\ (1,210), :math:`\dots`]; *ids* must be provided by the user, and *data* must be of rank 1 (i.e., ``DIMENSION(:)``) and have the ``ALLOCATABLE`` attribute. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., *x* or *mask*) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms to be gathered :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_atoms_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1587: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_atoms(name, data) This function calls :cpp:func:`lammps_scatter_atoms` to scatter the named atom-based entities in *data* to all processors. .. versionadded:: 3Nov2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to all atoms on all processors. The data must be ordered by atom ID, with the requirement that the IDs be consecutive. Use :f:func:`scatter_atoms_subset` to scatter data for some (or all) atoms, in any order. The *data* array needs to be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be of length *natoms* or 3\*\ *natoms*. :p character(len=\*) name: quantity to be scattered (e.g., *x* or *charge*) :p data: per-atom values packed in a one-dimensional array containing the data to be scattered. This array must have length *natoms* (e.g., for *type* or *charge*) or length *natoms*\ :math:`{}\times 3` (e.g., for *x* or *f*). The array *data* must be rank 1 (i.e., ``DIMENSION(:)``) and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *x* or *charge* or *f*). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter_atoms` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1618: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_atoms_subset(name, ids, data) This function calls :cpp:func:`lammps_scatter_atoms_subset` to scatter the named atom-based entities in *data* to all processors. .. versionadded:: 3Nov2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to a subset of atoms on all processors. The array *data* contains data associated with atom IDs, but there is no requirement that the IDs be consecutive, as they are provided in a separate array, *ids*. Use :f:func:`scatter_atoms` to scatter data for all atoms, in order. The *data* array needs to be organized in groups of 1 or 3 values, depending on which quantity is being scattered, with the groups in the same order as the array *ids*. For example, if you want *data* to be the array [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57)], then *ids* would be [1, 100, 57] and *name* would be *x*. :p character(len=\*) name: quantity to be scattered (e.g., *x* or *charge*) :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms being scattered :p data: per-atom values packed into a one-dimensional array containing the data to be scattered. This array must have either the same length as *ids* (for *mask*, *type*, etc.) or three times its length (for *x*, *f*, etc.); the array must be rank 1 and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *charge*, *x*, or *f*). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter_atoms_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1652: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_bonds(data) Gather type and constituent atom information for all bonds. .. versionadded:: 3Nov2022 This function copies the list of all bonds into an allocatable array. The array will be filled with (bond type, bond atom 1, bond atom 2) for each bond. The array is allocated to the right length (i.e., three times the number of bonds). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM bonds USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: bonds INTEGER(c_int), DIMENSION(:,:), POINTER :: bonds_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create bonds, etc. CALL lmp%gather_bonds(bonds) bonds_array(1:3, 1:SIZE(bonds)/3) => bonds DO i = 1, SIZE(bonds)/3 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4)') 'bond', bonds_array(1,i), & '; type = ', bonds_array(2,i), bonds_array(3,i) END DO END PROGRAM bonds :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_bonds` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1697: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_angles(data) Gather type and constituent atom information for all angles. .. versionadded:: 8Feb2023 This function copies the list of all angles into an allocatable array. The array will be filled with (angle type, angle atom 1, angle atom 2, angle atom 3) for each angle. The array is allocated to the right length (i.e., four times the number of angles). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM angles USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: angles INTEGER(c_int), DIMENSION(:,:), POINTER :: angles_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create angles, etc. CALL lmp%gather_angles(angles) angles_array(1:4, 1:SIZE(angles)/4) => angles DO i = 1, SIZE(angles)/4 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4)') 'angle', angles_array(1,i), & '; type = ', angles_array(2,i), angles_array(3,i), angles_array(4,i) END DO END PROGRAM angles :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_angles` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1742: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather(self, name, count, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes, in order by atom ID. .. versionadded:: 22Dec2022 This subroutine gathers data from all processes and stores them in a one-dimensional allocatable array. The array *data* will be ordered by atom ID, which requires consecutive IDs (1 to *natoms*\ ). If you need a similar array but for non-consecutive atom IDs, see :cpp:func:`lammps_gather_concat`; for a similar array but for a subset of atoms, see :cpp:func:`lammps_gather_subset`. The *data* array will be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x*, then *data* is [x(1,1), x(2,1), x(3,1), x(1,2), x(2,2), x(3,2), x(1,3), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count*\ :math:`{}\times{}`\ *natoms*), as queried by :f:func:`get_natoms`. This function will return an error if fix or compute data are requested and the fix or compute ID given does not have per-atom data. See the note about re-interpreting the vector as a matrix at :f:subr:`gather_atoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) count: number of per-atom values (e.g., 1 for *type* or *charge*, 3 for *x* or *f*); use *count* = 3 with *image* if you want the image flags unpacked into (*x*,\ *y*,\ *z*) components. :p real(c_double) data [dimension(:),allocatable]: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. :to: :cpp:func:`lammps_gather` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1784: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_dihedrals(data) Gather type and constituent atom information for all dihedrals. .. versionadded:: 8Feb2023 This function copies the list of all dihedrals into an allocatable array. The array will be filled with (dihedral type, dihedral atom 1, dihedral atom 2, dihedral atom 3, dihedral atom 4) for each dihedral. The array is allocated to the right length (i.e., five times the number of dihedrals). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM dihedrals USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: dihedrals INTEGER(c_int), DIMENSION(:,:), POINTER :: dihedrals_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create dihedrals, etc. CALL lmp%gather_dihedrals(dihedrals) dihedrals_array(1:5, 1:SIZE(dihedrals)/5) => dihedrals DO i = 1, SIZE(dihedrals)/5 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4,1X,I4)') 'dihedral', dihedrals_array(1,i), & '; type = ', dihedrals_array(2,i), dihedrals_array(3,i), dihedrals_array(4,i), dihedrals_array(5,i) END DO END PROGRAM dihedrals :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_dihedrals` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1830: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_impropers(data) Gather type and constituent atom information for all impropers. .. versionadded:: 8Feb2023 This function copies the list of all impropers into an allocatable array. The array will be filled with (improper type, improper atom 1, improper atom 2, improper atom 3, improper atom 4) for each improper. The array is allocated to the right length (i.e., five times the number of impropers). The array *data* must be of the same type as the LAMMPS ``tagint`` type, which is equivalent to either ``INTEGER(c_int)`` or ``INTEGER(c_int64_t)``, depending on whether ``-DLAMMPS_BIGBIG`` was used when LAMMPS was built. If the supplied array does not match, an error will result at run-time. An example of how to use this routine is below: .. code-block:: fortran PROGRAM impropers USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : OUTPUT_UNIT USE LIBLAMMPS IMPLICIT NONE INTEGER(c_int), DIMENSION(:), ALLOCATABLE, TARGET :: impropers INTEGER(c_int), DIMENSION(:,:), POINTER :: impropers_array TYPE(lammps) :: lmp INTEGER :: i ! other commands to initialize LAMMPS, create impropers, etc. CALL lmp%gather_impropers(impropers) impropers_array(1:5, 1:SIZE(impropers)/5) => impropers DO i = 1, SIZE(impropers)/5 WRITE(OUTPUT_UNIT,'(A,1X,I4,A,I4,1X,I4,1X,I4,1X,I4)') 'improper', impropers_array(1,i), & '; type = ', impropers_array(2,i), impropers_array(3,i), impropers_array(4,i), impropers_array(5,i) END DO END PROGRAM impropers :p data: array into which to copy the result. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, kind ``c_int64_t``. :ptype data: integer(kind=\*),allocatable :to: :cpp:func:`lammps_gather_impropers` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1876: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_concat(self, name, count, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes, unordered. .. versionadded:: 22Dec2022 This subroutine gathers data for all atoms and stores them in a one-dimensional allocatable array. The data will be a concatenation of chunks from each processor's owned atoms, in whatever order the atoms are in on each processor. This process has no requirement that the atom IDs be consecutive. If you need the ID of each atom, you can do another call to either :f:subr:`gather_atoms_concat` or :f:subr:`gather_concat` with *name* set to ``id``. If you have consecutive IDs and want the data to be in order, use :f:subr:`gather`; for a similar array but for a subset of atoms, use :f:subr:`gather_subset`. The *data* array will be in groups of *count* values, with *natoms* groups total, but not in order by atom ID (e.g., if *name* is *x* and *count* is 3, then *data* might be something like [x(1,11), x(2,11), x(3,11), x(1,3), x(2,3), x(3,3), x(1,5), :math:`\dots`]); *data* must be ``ALLOCATABLE`` and will be allocated to length (*count* :math:`\times` *natoms*), as queried by :f:func:`get_natoms`. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: array into which to store the data. Array *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If this array is already allocated, it will be reallocated to fit the length of the incoming data. It should have type ``INTEGER(c_int)`` if expecting integer data and ``REAL(c_double)`` if expecting floating-point data. :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_concat` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1922: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: gather_subset(name, count, ids, data) Gather the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities from all processes for a subset of atoms. .. versionadded:: 22Dec2022 This subroutine gathers data for the requested atom IDs and stores them in a one-dimensional allocatable array. The data will be ordered by atom ID, but there is no requirement that the IDs be consecutive. If you wish to return a similar array for *all* the atoms, use :f:subr:`gather` or :f:subr:`gather_concat`. The *data* array will be in groups of *count* values, sorted by atom ID in the same order as the array *ids* (e.g., if *name* is *x*, *count* = 3, and *ids* is [100, 57, 210], then *data* might look like [*x*\ (1,100), *x*\ (2,100), *x*\ (3,100), *x*\ (1,57), *x*\ (2,57), *x*\ (3,57), *x*\ (1,210), :math:`\dots`]); *ids* must be provided by the user, and *data* must have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``). If *data* is already allocated, it will be reallocated to fit the length of the incoming data. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: quantity to be scattered :p integer(c_int) ids [dimension(:)]: atom IDs corresponding to the atoms being scattered (e.g., "x" or "f" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{} > 1`) :p integer(c_int) count: number of per-atom values you expect per atom (e.g., 1 for *type*, *mask*, or *charge*; 3 for *x*, *v*, or *f*). Use *count* = 3 with *image* if you want a single image flag unpacked into *x*/*y*/*z* components. :p data: per-atom values packed into a one-dimensional array containing the data to be scattered. This array must have the ``ALLOCATABLE`` attribute and will be allocated either to the same length as *ids* (for *mask*, *type*, etc.) or to three times its length (for *x*, *f*, etc.); the array must be rank 1 and be of type ``INTEGER(c_int)`` (e.g., for *mask* or *type*) or of type ``REAL(c_double)`` (e.g., for *charge*, *x*, or *f*). :ptype data: polymorphic,dimension(:),allocatable :to: :cpp:func:`lammps_gather_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:1969: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter(name, data) This function calls :cpp:func:`lammps_scatter` to scatter the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entity in *data* to all processes. .. versionadded:: 22Dec2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to all atoms on all processes. The data must be ordered by atom ID, with the requirement that the IDs be consecutive. Use :f:subr:`scatter_subset` to scatter data for some (or all) atoms, unordered. The *data* array needs to be ordered in groups of *count* values, sorted by atom ID (e.g., if *name* is *x* and *count* = 3, then *data* = [*x*\ (1,1), *x*\ (2,1), *x*\ (3,1), *x*\ (1,2), *x*\ (2,2), *x*\ (3,2), *x*\ (1,3), :math:`\dots`]); *data* must be of length (*count* :math:`\times` *natoms*). This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=*) name: desired quantity (e.g., "x" or "f" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{} > 1`) :p data: per-atom values packed in a one-dimensional array; *data* should be of type ``INTEGER(c_int)`` or ``REAL(c_double)``, depending on the type of data being scattered, and be of rank 1 (i.e., ``DIMENSION(:)``). :ptype data: polymorphic,dimension(:) :to: :cpp:func:`lammps_scatter` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2002: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: scatter_subset(name, ids, data) This function calls :cpp:func:`lammps_scatter_subset` to scatter the named per-atom, per-atom fix, per-atom compute, or fix property/atom-based entities in *data* from a subset of atoms to all processes. .. versionadded:: 22Dec2022 This subroutine takes data stored in a one-dimensional array supplied by the user and scatters them to a subset of atoms on all processes. The array *data* contains data associated with atom IDs, but there is no requirement that the IDs be consecutive, as they are provided in a separate array. Use :f:subr:`scatter` to scatter data for all atoms, in order. The *data* array needs to be organized in groups of *count* values, with the groups in the same order as the array *ids*. For example, if you want *data* to be the array [x(1,1), x(2,1), x(3,1), x(1,100), x(2,100), x(3,100), x(1,57), x(2,57), x(3,57)], then *count* = 3 and *ids* = [1, 100, 57]. This function is not compatible with ``-DLAMMPS_BIGBIG``. :p character(len=\*) name: desired quantity (e.g., "x" or "mask" for atom properties, "f_id" for per-atom fix data, "c_id" for per-atom compute data, "d_name" or "i_name" for fix property/atom vectors with *count* = 1, "d2_name" or "i2_name" for fix property/atom vectors with *count*\ :math:`{}> 1`) :p integer(c_int) ids: list of atom IDs to scatter data for :p polymorphic data [dimension(:)]: per-atom values packed in a one-dimensional array of length *size(ids)* \* *count*. :to: :cpp:func:`lammps_scatter_subset` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2035: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: create_atoms([id,] type, x, [v,] [image,] [bexpand]) This method calls :cpp:func:`lammps_create_atoms` to create additional atoms from a given list of coordinates and a list of atom types. Additionally, the atom IDs, velocities, and image flags may be provided. .. versionadded:: 3Nov2022 :p integer(c_int) type [dimension(N)]: vector of :math:`N` atom types (required/see note below) :p real(c_double) x [dimension(3N)]: vector of :math:`3N\ x/y/z` positions of the new atoms, arranged as :math:`[x_1,y_1,z_1,x_2,y_2,\dotsc]` (required/see note below) :o integer(kind=\*) id [dimension(N),optional]: vector of :math:`N` atom IDs; if absent, LAMMPS will generate them for you. \*The ``KIND`` parameter should be ``c_int`` unless LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, in which case it should be ``c_int64_t``. :o real(c_double) v [dimension(3N),optional]: vector of :math:`3N` *x*\ /*y*\ /*z* velocities of the new atoms, arranged as :math:`[v_{1,x},v_{1,y},v_{1,z},v_{2,x}, \dotsc]`; if absent, they will be set to zero :o integer(kind=\*) image [dimension(N),optional]: vector of :math:`N` image flags; if absent, they are set to zero. \*The ``KIND`` parameter should be ``c_int`` unless LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, in which case it should be ``c_int64_t``. See note below. :o bexpand: if ``.TRUE.``, atoms outside of shrink-wrap boundaries will be created, not dropped, and the box dimensions will be extended. Default is ``.FALSE.`` :otype bexpand: logical,optional :to: :cpp:func:`lammps_create_atoms` .. note:: The *type* and *x* arguments are required, but they are declared ``OPTIONAL`` in the module because making them mandatory would require *id* to be present as well. To have LAMMPS generate the ids for you, use a call something like .. code-block:: fortran lmp%create_atoms(type=new_types, x=new_xs) .. note:: When LAMMPS has been compiled with ``-DLAMMPS_BIGBIG``, it is not possible to include the *image* parameter but omit the *id* parameter. Either *id* must be present, or both *id* and *image* must be absent. This is required because having all arguments be optional in both generic functions creates an ambiguous interface. This limitation does not exist if LAMMPS was not compiled with ``-DLAMMPS_BIGBIG``. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2088: ERROR: Unknown directive type "f:function". .. f:function:: find_pair_neighlist(style[, exact][, nsub][, reqid]) Find index of a neighbor list requested by a pair style. .. versionadded:: 3Nov2022 This function determines which of the available neighbor lists for pair styles matches the given conditions. It first matches the style name. If *exact* is ``.TRUE.``, the name must match exactly; if ``.FALSE.``, a regular expression or sub-string match is done. If the pair style is *hybrid* or *hybrid/overlay*, the style is matched against the sub-styles instead. If the same pair style is used multiple times as a sub-style, the *nsub* argument must be :math:`> 0`; this argument represents the *n*\ th instance of the sub-style (same as for the :doc:`pair_coeff ` command, for example). In that case, *nsub*\ :math:`{} = 0` will not produce a match, and the function will return :math:`-1`. The final condition to be checked is the request ID (\ *reqid*\ ). This will usually be zero, but some pair styles request multiple neighbor lists and set the request ID to a value greater than zero. :p character(len=\*) style: String used to search for pair style instance. :o exact: Flag to control whether style should match exactly or only a regular expression/sub-string match is applied. Default: ``.TRUE.``. :otype exact: logical,optional :o integer(c_int) nsub [optional]: Match *nsub*\ th hybrid sub-style instance of the same style. Default: 0. :o integer(c_int) reqid [optional]: Request ID to identify the neighbor list in case there are multiple requests from the same pair style instance. Default: 0. :to: :cpp:func:`lammps_find_pair_neighlist` :r integer(c_int) index: Neighbor list index if found, otherwise :math:`-1`. WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2124: ERROR: Unknown directive type "f:function". .. f:function:: find_fix_neighlist(id[, reqid]) Find index of a neighbor list requested by a fix. .. versionadded:: 3Nov2022 The neighbor list request from a fix is identified by the fix ID and the request ID. The request ID is typically zero, but will be :math:`>0` for fixes with multiple neighbor list requests. :p character(len=\*) id: Identifier of fix instance :o integer(c_int) reqid [optional]: request ID to identify the neighbor list in cases in which there are multiple requests from the same fix. Default: 0. :to: :cpp:func:`lammps_find_fix_neighlist` :r index: neighbor list index if found, otherwise :math:`-1` :rtype index: integer(c_int) WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2144: ERROR: Unknown directive type "f:function". .. f:function:: find_compute_neighlist(id[, reqid]) Find index of a neighbor list requested by a compute. .. versionadded:: 3Nov2022 The neighbor list request from a compute is identified by the compute ID and the request ID. The request ID is typically zero, but will be :math:`> 0` in case a compute has multiple neighbor list requests. :p character(len=\*) id: Identifier of compute instance. :o integer(c_int) reqid [optional]: request ID to identify the neighbor list in cases in which there are multiple requests from the same compute. Default: 0. :to: :cpp:func:`lammps_find_compute_neighlist` :r index: neighbor list index if found, otherwise :math:`-1`. :rtype index: integer(c_int) WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2164: ERROR: Unknown directive type "f:function". .. f:function:: neighlist_num_elements(idx) Return the number of entries in the neighbor list with the given index. .. versionadded:: 3Nov2022 :p integer(c_int) idx: neighbor list index :to: :cpp:func:`lammps_neighlist_num_elements` :r inum: number of entries in neighbor list, or :math:`-1` if *idx* is not a valid index. :rtype inum: integer(c_int) :to: :cpp:func:`lammps_neighlist_num_elements` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2179: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: neighlist_element_neighbors(idx, element, iatom, neighbors) Return atom local index, number of neighbors, and array of neighbor local atom indices of a neighbor list entry. .. versionadded:: 3Nov2022 :p integer(c_int) idx: index of this neighbor list in the list of all neighbor lists :p integer(c_int) element: index of this neighbor list entry :p integer(c_int) iatom: local atom index (i.e., in the range [1,nlocal+nghost]; -1 if invalid or element value :p integer(c_int) neighbors [dimension(:),pointer]: pointer to an array of neighboring atom local indices :to: :cpp:func:`lammps_neighlist_element_neighbors` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2197: ERROR: Unknown directive type "f:function". .. f:function:: version() This method returns the numeric LAMMPS version like :cpp:func:`lammps_version` does. :to: :cpp:func:`lammps_version` :r version: LAMMPS version :rtype version: integer WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2208: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_os_info(buffer) This function can be used to retrieve detailed information about the hosting operating system and compiler/runtime environment. .. versionadded:: 3Nov2022 A suitable buffer has to be provided. The assembled text will be truncated so as not to overflow this buffer. The string is typically a few hundred bytes long. :p character(len=\*) buffer: string that will house the information. :to: :cpp:func:`lammps_get_os_info` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2225: ERROR: Unknown directive type "f:function". .. f:function:: config_has_mpi_support() This function is used to query whether LAMMPS was compiled with a real MPI library or in serial. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_config_has_mpi_support` :r has_mpi: ``.FALSE.`` when compiled with STUBS, ``.TRUE.`` if complied with MPI. :rtype has_mpi: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2239: ERROR: Unknown directive type "f:function". .. f:function:: config_has_gzip_support() Check if the LAMMPS library supports reading or writing compressed files via a pipe to gzip or similar compression programs. .. versionadded:: 3Nov2022 Several LAMMPS commands (e.g., :doc:`read_data`, :doc:`write_data`, :doc:`dump styles atom, custom, and xyz `) support reading and writing compressed files via creating a pipe to the ``gzip`` program. This function checks whether this feature was :ref:`enabled at compile time `. It does **not** check whether ``gzip`` or any other supported compression programs themselves are installed and usable. :to: :cpp:func:`lammps_config_has_gzip_support` :r has_gzip: :rtype has_gzip: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2259: ERROR: Unknown directive type "f:function". .. f:function:: config_has_png_support() Check if the LAMMPS library supports writing PNG format images. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style image ` supports writing multiple image file formats. Most of them, however, need support from an external library, and using that has to be :ref:`enabled at compile time `. This function checks whether support for the `PNG image file format `_ is available in the current LAMMPS library. :to: :cpp:func:`lammps_config_has_png_support` :r has_png: :rtype has_png: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2278: ERROR: Unknown directive type "f:function". .. f:function:: config_has_jpeg_support() Check if the LAMMPS library supports writing JPEG format images. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style image ` supports writing multiple image file formats. Most of them, however, need support from an external library, and using that has to be :ref:`enabled at compile time `. This function checks whether support for the `JPEG image file format `_ is available in the current LAMMPS library. :to: :cpp:func:`lammps_config_has_jpeg_support` :r has_jpeg: :rtype has_jpeg: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2296: ERROR: Unknown directive type "f:function". .. f:function:: config_has_ffmpeg_support() Check if the LAMMPS library supports creating movie files via a pipe to ffmpeg. .. versionadded:: 3Nov2022 The LAMMPS :doc:`dump style movie ` supports generating movies from images on-the-fly via creating a pipe to the `ffmpeg `_ program. This function checks whether this feature was :ref:`enabled at compile time `. It does **not** check whether the ``ffmpeg`` itself is installed and usable. :to: :cpp:func:`lammps_config_has_ffmpeg_support` :r has_ffmpeg: :rtype has_ffmpeg: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2316: ERROR: Unknown directive type "f:function". .. f:function:: config_has_exceptions() Check whether LAMMPS errors will throw C++ exceptions. .. versionadded:: 3Nov2022 When using the library interface, the library interface functions will "catch" exceptions, and then the error status can be checked by calling :f:func:`has_error`. The most recent error message can be retrieved via :f:func:`get_last_error_message`. This allows to restart a calculation or delete and recreate the LAMMPS instance when a C++ exception occurs. One application of using exceptions this way is the :ref:`lammps_shell`. :to: :cpp:func:`lammps_config_has_exceptions` :r has_exceptions: :rtype has_exceptions: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2336: ERROR: Unknown directive type "f:function". .. f:function:: config_has_package(name) Check whether a specific package has been included in LAMMPS .. versionadded:: 3Nov2022 This function checks whether the LAMMPS library in use includes the specific :doc:`LAMMPS package ` provided as argument. :to: :cpp:func:`lammps_config_has_package` :r has_package: :rtype has_package: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2351: ERROR: Unknown directive type "f:function". .. f:function:: config_package_count() Count the number of installed packages in the LAMMPS library. .. versionadded:: 3Nov2022 This function counts how many :doc:`LAMMPS packages ` are included in the LAMMPS library in use. It directly calls the C library function :cpp:func:`lammps_config_package_count`. :to: :cpp:func:`lammps_config_package_count` :r integer(c_int) npackages: number of packages installed WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2366: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: config_package_name(idx, buffer) Get the name of a package in the list of installed packages in the LAMMPS library. .. versionadded:: 3Nov2022 This subroutine copies the name of the package with the index *idx* into the provided string *buffer*. If the name of the package exceeds the length of the buffer, it will be truncated accordingly. If the index is out of range, *buffer* is set to an empty string. :p integer(c_int) idx: index of the package in the list of included packages :math:`(0 \le idx < \text{package count})` :p character(len=\*) buffer: string to hold the name of the package :to: :cpp:func:`lammps_config_package_name` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2385: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: installed_packages(package[, length]) Obtain a list of the names of enabled packages in the LAMMPS shared library and store it in *package*. .. versionadded:: 3Nov2022 This function is analogous to the :py:meth:`installed_packages ` function in the Python API. The optional argument *length* sets the length of each string in the vector *package* (default: 31). :p character(len=:) package [dimension(:),allocatable]: list of packages; *must* have the ``ALLOCATABLE`` attribute and be of rank 1 (i.e., ``DIMENSION(:)``) with allocatable length. :o length: length of each string in the list. Default: 31. :otype length: integer,optional :to: :cpp:func:`lammps_config_package_count` :to: :cpp:func:`lammps_config_package_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2407: ERROR: Unknown directive type "f:function". .. f:function:: config_accelerator(package, category, setting) This function calls :cpp:func:`lammps_config_accelerator` to check the availability of compile time settings of included :doc:`accelerator packages ` in LAMMPS. .. versionadded:: 3Nov2022 Supported packages names are "GPU", "KOKKOS", "INTEL", and "OPENMP". Supported categories are "api" with possible settings "cuda", "hip", "phi", "pthreads", "opencl", "openmp", and "serial"; and "precision" with possible settings "double", "mixed", and "single". :p character(len=\*) package: string with the name of the accelerator package :p character(len=\*) category: string with the name of the setting :p character(len=\*) setting: string with the name of the specific setting :to: :cpp:func:`lammps_config_accelerator` :r available: ``.TRUE.`` if the combination of package, category, and setting is available, otherwise ``.FALSE.``. :rtype available: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2432: ERROR: Unknown directive type "f:function". .. f:function:: has_gpu_device() Checks for the presence of a viable GPU package device. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_has_gpu_device`, which checks at runtime whether an accelerator device is present that can be used with the :doc:`GPU package `. More detailed information about the available device or devices can be obtained by calling the :f:subr:`get_gpu_device_info` subroutine. :to: :cpp:func:`lammps_has_gpu_device` :r available: ``.TRUE.`` if a viable device is available, ``.FALSE.`` if not. :rtype available: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2452: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_gpu_device_info(buffer) Get GPU package device information. .. versionadded:: 3Nov2022 Calls :cpp:func:`lammps_get_gpu_device_info` to retrieve detailed information about any accelerator devices that are viable for use with the :doc:`GPU package `. It will fill *buffer* with a string that is equivalent to the output of the ``nvc_get_device`` or ``ocl_get_device`` or ``hip_get_device`` tools that are compiled alongside LAMMPS if the GPU package is enabled. A suitable-length Fortran string has to be provided. The assembled text will be truncated so as not to overflow this buffer. This string can be several kilobytes long if multiple devices are present. :p character(len=\*) buffer: string into which to copy the information. :to: :cpp:func:`lammps_get_gpu_device_info` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2474: ERROR: Unknown directive type "f:function". .. f:function:: has_style(category, name) Check whether a specific style has been included in LAMMPS. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_has_style` to check whether the LAMMPS library in use includes the specific style *name* associated with a specific *category* provided as arguments. Please see :cpp:func:`lammps_has_style` for a list of valid categories. :p character(len=\*) category: category of the style :p character(len=\*) name: name of the style :to: :cpp:func:`lammps_has_style` :r has_style: ``.TRUE.`` if included, ``.FALSE.`` if not. :rtype has_style: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2493: ERROR: Unknown directive type "f:function". .. f:function:: style_count(category) Count the number of styles of *category* in the LAMMPS library. .. versionadded:: 3Nov2022 This function counts how many styles in the provided *category* are included in the LAMMPS library currently in use. Please see :cpp:func:`lammps_has_style` for a list of valid categories. :p character(len=\*) category: category of styles to count :to: :cpp:func:`lammps_style_count` :r integer(c_int) count: number of styles in *category* WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2509: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: style_name(category, idx, buffer) Look up the name of a style by index in the list of styles of a given category in the LAMMPS library. .. versionadded:: 3Nov2022 This function calls :cpp:func:`lammps_style_name` and copies the name of the *category* style with index *idx* into the provided string *buffer*. The length of *buffer* must be long enough to contain the name of the style; if it is too short, the name will be truncated accordingly. If *idx* is out of range, *buffer* will be the empty string and a warning will be issued. :p character(len=\*) category: category of styles :p integer(c_int) idx: index of the style in the list of *category* styles :math:`(1 \leq idx \leq \text{style count})` :p character(len\*) buffer: string buffer to copy the name of the style into :to: :cpp:func:`lammps_style_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2532: ERROR: Unknown directive type "f:function". .. f:function:: has_id(category, name) This function checks if the current LAMMPS instance a *category* ID of the given *name* exists. Valid categories are: *compute*\ , *dump*\ , *fix*\ , *group*\ , *molecule*\ , *region*\ , and *variable*\ . .. versionadded:: 3Nov2022 :p character(len=\*) category: category of the ID :p character(len=\*) name: name of the ID :to: :cpp:func:`lammps_has_id` :r has_id: ``.TRUE.`` if *category* style *name* exists, ``.FALSE.`` if not. :rtype has_id: logical WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2548: ERROR: Unknown directive type "f:function". .. f:function:: id_count(category) This function counts how many IDs in the provided *category* are defined in the current LAMMPS instance. Please see :f:func:`has_id` for a list of valid categories. .. versionadded:: 3Nov2022 :p character(len=\*) category: category of the ID :to: :cpp:func:`lammps_id_count` :r count: number of IDs in *category* :rtype count: integer(c_int) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2563: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: id_name(category, idx, buffer) Look up the name of an ID by index in the list of IDs of a given category. .. versionadded:: 3Nov2022 This function copies the name of the *category* ID with the index *idx* into the provided string *buffer*\ . The length of the buffer must be long enough to hold the string; if the name of the style exceeds the length of the buffer, it will be truncated accordingly. If *buffer* is ``ALLOCATABLE``, it must be allocated *before* the function is called. If *idx* is out of range, *buffer* is set to an empty string and a warning is issued. :p character(len=\*) category: category of IDs :p integer(c_int) idx: index of the ID in the list of *category* styles (:math:`0 \leq idx < count`) :p character(len=\*) buffer: string into which to copy the name of the style :to: :cpp:func:`lammps_id_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2586: ERROR: Unknown directive type "f:function". .. f:function:: plugin_count() This function counts the number of loaded plugins. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_plugin_count` :r n: number of loaded plugins :rtype n: integer(c_int) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2598: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: plugin_name(idx, stylebuf, namebuf) Look up the style and name of a plugin by its index in the list of plugins. .. versionadded:: 3Nov2022 This function copies the name of the *style* plugin with the index *idx* into the provided C-style string buffer. The length of the buffer must be provided as *buf_size* argument. If the name of the style exceeds the length of the buffer, it will be truncated accordingly. If the index is out of range, both strings are set to the empty string and a warning is printed. :p integer(c_int) idx: index of the plugin in the list all or *style* plugins :p character(len=\*) stylebuf: string into which to copy the style of the plugin :p character(len=\*) namebuf: string into which to copy the style of the plugin :to: :cpp:func:`lammps_plugin_name` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2621: ERROR: Unknown directive type "f:function". .. f:function:: encode_image_flags(ix, iy, iz) Encodes three integer image flags into a single imageint. .. versionadded:: 3Nov2022 This function performs the bit-shift, addition, and bit-wise OR operations necessary to combine the values of three integers representing the image flags in the :math:`x`-, :math:`y`-, and :math:`z`-directions. Unless LAMMPS is compiled with ``-DLAMMPS_BIGBIG``, those integers are limited to 10-bit signed integers :math:`[-512,512)`. If ``-DLAMMPS_BIGBIG`` was used when compiling, then the return value is of kind ``c_int64_t`` instead of kind ``c_int``, and the valid range for the individual image flags becomes :math:`[-1048576,1048575)` (i.e., the range of a 21-bit signed integer). There is no check on whether the arguments conform to these requirements; values out of range will simply be wrapped back into the interval. :p integer(c_int) ix: image flag in :math:`x`-direction :p integer(c_int) iy: image flag in :math:`y`-direction :p integer(c_int) iz: image flag in :math:`z`-direction :r integer(kind=\*) imageint: encoded image flag. \*The ``KIND`` parameter is ``c_int`` unless LAMMPS was built with ``-DLAMMPS_BIGBIG``, in which case it is ``c_int64_t``. .. note:: The fact that the programmer does not know the ``KIND`` parameter of the return value until compile time means that it is impossible to define an interface that works for both sizes of ``imageint``. One side effect of this is that you must assign the return value of this function to a variable; it cannot be used as the argument to another function or as part of an array constructor. For example, .. code-block:: fortran my_images = [lmp%encode_image_flags(0,0,0), lmp%encode_image_flags(1,0,0)] will *not* work; instead, do something like .. code-block:: fortran my_images(1) = lmp%encode_image_flags(0,0,0) my_images(2) = lmp%encode_image_flags(1,0,0) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2667: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: decode_image_flags(image, flags) This function does the reverse operation of :f:func:`encode_image_flags`: it takes the image flag and performs the bit-shift and bit-masking operations to decode it and stores the resulting three integers into the array *flags*. .. versionadded:: 3Nov2022 :p integer(kind=\*) image: encoded image flag. \*The ``KIND`` parameter is either ``c_int`` or, if LAMMPS was compiled with ``-DLAMMPS_BIGBIG``, ``c_int64_t``. Kind compatibility is checked at run-time. :p integer(c_int) flags [dimension(3)]: three-element vector where the decoded image flags will be stored. WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2684: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_fix_external_callback(id, callback, caller) Set the callback function for a :doc:`fix external ` instance with the given ID. .. versionadded:: 22Dec2022 Fix :doc:`external ` allows programs that are running LAMMPS through its library interface to modify certain LAMMPS properties on specific time steps, similar to the way other fixes do. This subroutine sets the callback function for use with the "pf/callback" mode. The function should have Fortran language bindings with the following interface, which depends on how LAMMPS was compiled: .. code-block:: fortran ABSTRACT INTERFACE SUBROUTINE external_callback(caller, timestep, ids, x, fexternal) USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_double, c_int64_t CLASS(*), INTENT(INOUT) :: caller INTEGER(c_bigint), INTENT(IN) :: timestep INTEGER(c_tagint), DIMENSION(:), INTENT(IN) :: ids REAL(c_double), DIMENSION(:,:), INTENT(IN) :: x REAL(c_double), DIMENSION(:,:), INTENT(OUT) :: fexternal END SUBROUTINE external_callback END INTERFACE where ``c_bigint`` is ``c_int`` if ``-DLAMMPS_SMALLSMALL`` was used and ``c_int64_t`` otherwise; and ``c_tagint`` is ``c_int64_t`` if ``-DLAMMPS_BIGBIG`` was used and ``c_int`` otherwise. The argument *caller* to :f:subr:`set_fix_external_callback` is unlimited polymorphic (i.e., it can be any Fortran object you want to pass to the calling function) and will be available as the first argument to the callback function. It can be your LAMMPS instance, which you might need if the callback function needs access to the library interface. The argument must be a scalar; to pass non-scalar data, wrap those data in a derived type and pass an instance of the derived type to *caller*. The array *ids* is an array of length *nlocal* (as accessed from the :cpp:class:`Atom` class or through :f:func:`extract_global`). The arrays *x* and *fexternal* are :math:`3 \times {}`\ *nlocal* arrays; these are transposed from what they would look like in C (see note about array index order at :f:func:`extract_atom`). The callback mechanism is one of two ways that forces can be applied to a simulation with the help of :doc:`fix external `. The alternative is *array* mode, where one calls :f:func:`fix_external_get_force`. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and couple it with external programs. :p character(len=*) id: ID of :doc:`fix external ` instance :p callback: subroutine :doc:`fix external ` should call :ptype callback: external :p class(*) caller [optional]: object you wish to pass to the callback procedure (must be a scalar; see note) :to: :cpp:func:`lammps_set_fix_external_callback` .. note:: The interface for your callback function must match types precisely with the abstract interface block given above. **The compiler probably will not be able to check this for you.** In particular, the first argument ("caller") must be of type ``CLASS(*)`` or you will probably get a segmentation fault or at least a misinterpretation of whatever is in memory there. You can resolve the object using the ``SELECT TYPE`` construct. An example callback function (assuming LAMMPS was compiled with ``-DLAMMPS_SMALLBIG``) that applies something akin to Hooke's Law (with each atom having a different *k* value) is shown below. .. code-block:: fortran MODULE stuff USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_double, c_int64_t USE, INTRINSIC :: ISO_FORTRAN_ENV, ONLY : error_unit IMPLICIT NONE TYPE shield REAL(c_double), DIMENSION(:,:), ALLOCATABLE :: k ! assume k gets allocated to dimension(3,nlocal) at some point ! and assigned values END TYPE shield SUBROUTINE my_callback(caller, timestep, ids, x, fexternal) CLASS(*), INTENT(INOUT) :: caller INTEGER(c_int), INTENT(IN) :: timestep INTEGER(c_int64_t), INTENT(IN) :: ids REAL(c_double), INTENT(IN) :: x(:,:) REAL(c_double), INTENT(OUT) :: fexternal(:,:) SELECT TYPE (caller) TYPE IS (shield) fexternal = - caller%k * x CLASS DEFAULT WRITE(error_unit,*) 'UH OH...' END SELECT END SUBROUTINE my_callback END MODULE stuff ! then, when assigning the callback function, do this: PROGRAM example USE LIBLAMMPS USE stuff TYPE(lammps) :: lmp TYPE(shield) :: my_shield lmp = lammps() CALL lmp%command('fix ext all external pf/callback 1 1') CALL lmp%set_fix_external_callback('ext', my_callback, my_shield) END PROGRAM example WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:2800: ERROR: Unknown directive type "f:function". .. f:function:: fix_external_get_force(id) Get pointer to the force array storage in a fix external instance with the given ID. .. versionadded:: 22Dec2022 Fix :doc:`external ` allows programs that are running LAMMPS through its library interfaces to add or modify certain LAMMPS properties on specific time steps, similar to the way other fixes do. This function provides access to the per-atom force storage in a fix external instance with the given fix-ID to be added to the individual atoms when using the "pf/array" mode. The *fexternal* array can be accessed like other "native" per-atom arrays accessible via the :f:func:`extract_atom` function. Please note that the array stores the forces for *local* atoms for each MPI rank, in the order determined by the neighbor list build. Because the underlying data structures can change as well as the order of atom as they migrate between MPI processes because of the domain decomposition parallelization, this function should be always called immediately before the forces are going to be set to get an up-to-date pointer. You can use, for example, :f:func:`extract_setting` to obtain the number of local atoms `nlocal` and then assume the dimensions of the returned force array as ``REAL(c_double) :: force(3,nlocal)``. This function is an alternative to the callback mechanism in fix external set up by :f:subr:`set_fix_external_callback`. The main difference is that this mechanism can be used when forces are to be pre-computed and the control alternates between LAMMPS and the external driver, while the callback mechanism can call an external subroutine to compute the force when the fix is triggered and needs them. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: ID of :doc:`fix external ` instance :to: :cpp:func:`lammps_fix_external_get_force` :r fexternal: pointer to the per-atom force array allocated by the fix :rtype fexternal: real(c_double),dimension(3,nlocal) WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2844: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_energy_global(id, eng) Set the global energy contribution for a :doc:`fix external ` instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:func:`set_fix_external_callback` and :f:func:`fix_external_get_force` that also sets the contribution to the global energy from the external program. The value of the *eng* argument will be stored in the fix and applied on the current and all following time steps until changed by another call to this function. The energy is in energy units as determined by the current :doc:`units ` settings and is the **total** energy of the contribution. Thus, when running in parallel, all MPI processes have to call this function with the **same** value, and this will be returned as a scalar property of the fix external instance when accessed in LAMMPS input commands or from variables. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p real(c_double) eng: total energy to be added to the global energy :to: :cpp:func:`lammps_fix_external_set_energy_global` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2872: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_virial_global(id, virial) Set the global virial contribution for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the contribution to the global virial from an external program. The six values of the *virial* array will be stored in the fix and applied on the current and all following time steps until changed by another call to this function. The components of the virial need to be stored in the following order: *xx*, *yy*, *zz*, *xy*, *xz*, *yz*. In LAMMPS, the virial is stored internally as `stress*volume` in units of `pressure*volume` as determined by the current :doc:`units ` settings and is the **total** contribution. Thus, when running in parallel, all MPI processes have to call this function with the **same** value, and this will then be added by fix external. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: fix ID of fix external instance :p real(c_double) virial [dimension(6)]: the six global stress tensor components to be added to the global virial :to: :cpp:func:`lammps_fix_external_set_virial_global` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2904: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_energy_peratom(id, eng) Set the per-atom energy contribution for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` to set the per-atom energy contribution due to the fix from the external program as part of the callback function. For this to work, the LAMMPS object must be passed as part of the *caller* argument when registering the callback function, or the callback function must otherwise have access to the LAMMPS object, such as through a module-based pointer. .. note:: This function is fully independent from :f:subr:`fix_external_set_energy_global` and will **NOT** add any contributions to the global energy tally and will **NOT** check whether the sum of the contributions added here are consistent with the global added energy. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: fix ID of the fix external instance :p real(c_double) eng [dimension(:)]: array of length *nlocal* containing the energy to add to the per-atom energy :to: :cpp:func:`lammps_fix_external_set_energy_peratom` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2937: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: set_fix_external_set_virial_peratom(id, virial) This is a companion function to :f:subr:`set_fix_external_callback` to set the per-atom virial contribution due to the fix from the external program as part of the callback function. For this to work, the LAMMPS object must be passed as the *caller* argument when registering the callback function. .. versionadded:: 22Dec2022 .. note:: This function is fully independent from :f:subr:`fix_external_set_virial_global` and will **NOT** add any contributions to the global virial tally and **NOT** check whether the sum of the contributions added here are consistent with the global added virial. The order and units of the per-atom stress tensor elements are the same as for the global virial. The type and dimensions of the per-atom virial array must be ``REAL(c_double), DIMENSION(6,nlocal)``. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p real(c_double) virial [dimension(:,:)]: an array of :math:`6 \times{}`\ *nlocal* components to be added to the per-atom virial :to: :cpp:func:`lammps_set_virial_peratom` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2969: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_vector_length(id, length) Set the vector length for a global vector stored with fix external for analysis. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the length of a global vector of properties that will be stored with the fix via :f:subr:`fix_external_set_vector`. This function needs to be called **before** a call to :f:subr:`fix_external_set_vector` and **before** a run or minimize command. When running in parallel, it must be called from **all** MPI processes with the same length argument. Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external program. :p character(len=*) id: fix ID of fix external instance :p integer(c_int) length: length of the global vector to be stored with the fix :to: :cpp:func:`lammps_fix_external_set_vector_length` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:2997: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: fix_external_set_vector(id, idx, val) Store a global vector value for a fix external instance with the given ID. .. versionadded:: 22Dec2022 This is a companion function to :f:subr:`set_fix_external_callback` and :f:func:`fix_external_get_force` to set the values of a global vector of properties that will be stored with the fix and can be accessed from within LAMMPS input commands (e.g., fix ave/time or variables) when used in a vector context. This function needs to be called **after** a call to :f:subr:`fix_external_set_vector_length` and **before** a run or minimize command. When running in parallel, it must be called from **all** MPI processes with the **same** *idx* and *val* parameters. The variable *val* is assumed to be extensive. .. note:: The index in the *idx* parameter is 1-based (i.e., the first element is set with *idx*\ :math:`{} = 1`, and the last element of the vector with *idx*\ :math:`{} = N`, where :math:`N` is the value of the *length* parameter of the call to :f:subr:`fix_external_set_vector_length`). Please see the documentation for :doc:`fix external ` for more information about how to use the fix and how to couple it with an external code. :p character(len=*) id: ID of fix external instance :p integer(c_int) idx: 1-based index in global vector :p integer(c_int) val: value to be stored in global vector at index *idx* :to: :cpp:func:`lammps_fix_external_set_vector` WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3033: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: flush_buffers() This function calls :cpp:func:`lammps_flush_buffers`, which flushes buffered output to be written to screen and logfile. This can simplify capturing output from LAMMPS library calls. .. versionadded:: 3Nov2022 :to: :cpp:func:`lammps_flush_buffers` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:3045: ERROR: Unknown directive type "f:function". .. f:function:: is_running() Check if LAMMPS is currently inside a run or minimization. .. versionadded:: 3Nov2022 This function can be used from signal handlers or multi-threaded applications to determine if the LAMMPS instance is currently active. :to: :cpp:func:`lammps_is_running` :r is_running: ``.FALSE.`` if idle or ``.TRUE.`` if active :rtype is_running: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3060: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: force_timeout() Force a timeout to stop an ongoing run cleanly. .. versionadded:: 3Nov2022 This function can be used from signal handlers or multi-threaded applications to terminate an ongoing run cleanly. :to: :cpp:func:`lammps_force_timeout` WARNING: unknown directive or role name: f:function /<>/doc/src/Fortran.rst:3073: ERROR: Unknown directive type "f:function". .. f:function:: has_error() Check if there is a (new) error message available. .. versionadded:: 3Nov2022 This function can be used to query if an error inside of LAMMPS has thrown a :ref:`C++ exception `. :to: :cpp:func:`lammps_has_error` :r has_error: ``.TRUE.`` if there is an error. :rtype has_error: logical WARNING: unknown directive or role name: f:subroutine /<>/doc/src/Fortran.rst:3088: ERROR: Unknown directive type "f:subroutine". .. f:subroutine:: get_last_error_message(buffer[,status]) Copy the last error message into the provided buffer. .. versionadded:: 3Nov2022 This function can be used to retrieve the error message that was set in the event of an error inside of LAMMPS that resulted in a :ref:`C++ exception `. A suitable buffer for a string has to be provided. If the internally-stored error message is longer than the string, it will be truncated accordingly. The optional argument *status* indicates the kind of error: a "1" indicates an error that occurred on all MPI ranks and is often recoverable, while a "2" indicates an abort that would happen only in a single MPI rank and thus may not be recoverable, as other MPI ranks may be waiting on the failing MPI rank(s) to send messages. :p character(len=\*) buffer: string buffer to copy the error message into :o integer(c_int) status [optional]: 1 when all ranks had the error, 2 on a single-rank error. :to: :cpp:func:`lammps_get_last_error_message` looking for now-outdated files... none found pickling environment... done checking consistency... done preparing documents... done copying assets... copying static files... done copying extra files... done done writing output... [ 50%] Library writing output... [100%] Manual generating indices... genindex py-modindex done writing additional pages... search done dumping search index in English (code: en)... done dumping object inventory... done build succeeded, 196 warnings. The HTML pages are in html. ############################################ env: ‘rst_anchor_check’: No such file or directory Found 89 packages Parsed style names w/o suffixes from C++ tree in ../src: Angle styles: 26 Atom styles: 28 Body styles: 3 Bond styles: 25 Command styles: 51 Compute styles: 169 Dihedral styles: 17 Dump styles: 34 Fix styles: 265 Improper styles: 14 Integrate styles: 4 Kspace styles: 21 Minimize styles: 9 Pair styles: 287 Reader styles: 4 Region styles: 9 ---------------------------------------------------- Total number of styles (including suffixes): 1784 Total number of style index entries: 1278 ############################################ Build finished. The HTML pages are in doc/html. make[2]: Leaving directory '/<>/doc' make[1]: Leaving directory '/<>' debian/rules override_dh_auto_test-arch make[1]: Entering directory '/<>' mkdir test; cp examples/crack/* test/ cd test; /<>/debian/build/lmp < in.crack LAMMPS (7 Feb 2024 - Update 1) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Lattice spacing in x,y,z = 1.1142771 1.9299846 1.1142771 Created orthogonal box = (0 0 -0.27856928) to (111.42771 77.199383 0.27856928) 1 by 1 by 1 MPI processor grid Created 8141 atoms using lattice units in orthogonal box = (-0.011142771 -0.0077199383 -0.27856928) to (111.43885 77.207103 0.27856928) create_atoms CPU = 0.001 seconds 302 atoms in group lower 302 atoms in group upper 604 atoms in group boundary 7537 atoms in group mobile 841 atoms in group leftupper 841 atoms in group leftlower Setting atom values ... 841 settings made for type Setting atom values ... 841 settings made for type Setting atom values ... 302 settings made for type Setting atom values ... 302 settings made for type WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) Generated 0 of 10 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 1 steps, delay = 5 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 2.8 ghost atom cutoff = 2.8 binsize = 1.4, bins = 80 56 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/cut, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/2d bin: standard Setting up Verlet run ... Unit style : lj Current step : 0 Time step : 0.003 Per MPI rank memory allocation (min/avg/max) = 3.112 | 3.112 | 3.112 Mbytes Step Temp E_pair E_mol TotEng Press Volume 0 0.065651733 -3.2595015 0 -3.1987287 -0.036239172 8605.5917 200 0.060086376 -3.2531936 0 -3.1975725 -0.23125026 8638.8101 400 0.060533553 -3.2509973 0 -3.1949623 -0.4305406 8679.2464 600 0.06082965 -3.2466949 0 -3.1903858 -0.6028531 8716.7569 800 0.061677224 -3.2413215 0 -3.1842278 -0.7482749 8756.226 1000 0.062383731 -3.2349273 0 -3.1771796 -0.87425132 8793.1116 1200 0.063709246 -3.2276094 0 -3.1686347 -0.98020161 8828.8863 1400 0.065404552 -3.2196608 0 -3.1591168 -1.0695384 8866.4893 1600 0.067579602 -3.2110378 0 -3.1484804 -1.1456387 8900.6772 1800 0.069324241 -3.2018536 0 -3.1376812 -1.2020999 8933.017 2000 0.071014927 -3.1921108 0 -3.1263733 -1.2430105 8963.9853 2200 0.072992881 -3.1818701 0 -3.1143017 -1.2701297 9004.4136 2400 0.075000723 -3.1712313 0 -3.1018043 -1.2830866 9034.9991 2600 0.076843477 -3.1601004 0 -3.0889675 -1.27924 9072.1325 2800 0.078671706 -3.1487747 0 -3.0759495 -1.2659604 9103.9526 3000 0.080713586 -3.1373277 0 -3.0626123 -1.2440673 9134.552 3200 0.08309469 -3.1260242 0 -3.0491047 -1.214547 9169.0003 3400 0.085424766 -3.1146623 0 -3.0355859 -1.1839326 9206.909 3600 0.087396485 -3.1029493 0 -3.0220477 -1.143412 9233.783 3800 0.089007987 -3.090822 0 -3.0084286 -1.1000791 9259.0348 4000 0.089813071 -3.0794078 0 -2.9962692 -1.062847 9281.82 4200 0.08584753 -3.0668559 0 -2.9873882 -1.037972 9308.8113 4400 0.086197517 -3.0559678 0 -2.9761761 -1.028843 9328.9666 4600 0.086766447 -3.0437627 0 -2.9634443 -1.0208785 9361.9925 4800 0.088195149 -3.0328502 0 -2.9512093 -1.0272063 9395.6122 5000 0.089415266 -3.0228825 0 -2.9401122 -1.0215336 9436.1637 Loop time of 3.34962 on 1 procs for 5000 steps with 8141 atoms Performance: 386909.049 tau/day, 1492.705 timesteps/s, 12.152 Matom-step/s 99.9% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 2.7848 | 2.7848 | 2.7848 | 0.0 | 83.14 Neigh | 0.17724 | 0.17724 | 0.17724 | 0.0 | 5.29 Comm | 0.00296 | 0.00296 | 0.00296 | 0.0 | 0.09 Output | 0.0024708 | 0.0024708 | 0.0024708 | 0.0 | 0.07 Modify | 0.29535 | 0.29535 | 0.29535 | 0.0 | 8.82 Other | | 0.08684 | | | 2.59 Nlocal: 8141 ave 8141 max 8141 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 71389 ave 71389 max 71389 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 71389 Ave neighs/atom = 8.7690701 Neighbor list builds = 100 Dangerous builds = 0 Total wall time: 0:00:03 rm -rf test mkdir test; cp examples/crack/* test/ cd test; mpirun -np 2 --allow-run-as-root --oversubscribe /<>/debian/build/lmp < in.crack LAMMPS (7 Feb 2024 - Update 1) WARNING: Using I/O redirection is unreliable with parallel runs. Better to use the -in switch to read input files. (src/lammps.cpp:552) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Lattice spacing in x,y,z = 1.1142771 1.9299846 1.1142771 Created orthogonal box = (0 0 -0.27856928) to (111.42771 77.199383 0.27856928) 2 by 1 by 1 MPI processor grid Created 8141 atoms using lattice units in orthogonal box = (-0.011142771 -0.0077199383 -0.27856928) to (111.43885 77.207103 0.27856928) create_atoms CPU = 0.001 seconds 302 atoms in group lower 302 atoms in group upper 604 atoms in group boundary 7537 atoms in group mobile 841 atoms in group leftupper 841 atoms in group leftlower Setting atom values ... 841 settings made for type Setting atom values ... 841 settings made for type Setting atom values ... 302 settings made for type Setting atom values ... 302 settings made for type WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:529) Generated 0 of 10 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 1 steps, delay = 5 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 2.8 ghost atom cutoff = 2.8 binsize = 1.4, bins = 80 56 1 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/cut, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/2d bin: standard Setting up Verlet run ... Unit style : lj Current step : 0 Time step : 0.003 Per MPI rank memory allocation (min/avg/max) = 3.097 | 3.097 | 3.097 Mbytes Step Temp E_pair E_mol TotEng Press Volume 0 0.065993465 -3.2595015 0 -3.1984123 -0.035939913 8605.5917 200 0.060035253 -3.2531886 0 -3.1976149 -0.22757684 8638.5331 400 0.06054278 -3.2510706 0 -3.1950271 -0.42811733 8677.8288 600 0.060576995 -3.246816 0 -3.1907408 -0.60017647 8717.6131 800 0.060802753 -3.2413477 0 -3.1850635 -0.74499308 8756.4512 1000 0.061812114 -3.2349942 0 -3.1777756 -0.87130079 8796.9575 1200 0.06317147 -3.2277552 0 -3.1692783 -0.98010628 8823.1488 1400 0.065125405 -3.2198031 0 -3.1595175 -1.0690179 8858.8358 1600 0.06725411 -3.2111272 0 -3.148871 -1.1440993 8892.6607 1800 0.069389572 -3.2019689 0 -3.137736 -1.199078 8933.7591 2000 0.071276448 -3.1921621 0 -3.1261826 -1.239553 8969.0463 2200 0.073243486 -3.1818809 0 -3.1140805 -1.264839 8997.6559 2400 0.075063494 -3.1711703 0 -3.1016851 -1.2772278 9038.4932 2600 0.076789207 -3.1600658 0 -3.0889832 -1.2754953 9073.4997 2800 0.07875979 -3.1487143 0 -3.0758075 -1.2637926 9106.2245 3000 0.080591853 -3.1372361 0 -3.0626334 -1.2388824 9142.7862 3200 0.08227693 -3.125423 0 -3.0492605 -1.2055283 9169.4322 3400 0.084289444 -3.1136554 0 -3.03563 -1.1672422 9204.8205 3600 0.086720297 -3.1021183 0 -3.0218427 -1.126381 9233.2656 3800 0.089264018 -3.0909262 0 -3.0082959 -1.0899774 9265.4143 4000 0.091377688 -3.0795096 0 -2.9949227 -1.0580229 9297.6799 4200 0.092665135 -3.0678736 0 -2.9820949 -1.0390124 9331.6135 4400 0.09055434 -3.0560482 0 -2.9722234 -1.0323741 9362.2075 4600 0.088763719 -3.0446018 0 -2.9624346 -1.027693 9391.6949 4800 0.089467982 -3.0337452 0 -2.950926 -1.0232092 9427.4155 5000 0.089910902 -3.0237571 0 -2.9405279 -1.0174796 9452.031 Loop time of 1.70558 on 2 procs for 5000 steps with 8141 atoms Performance: 759856.793 tau/day, 2931.546 timesteps/s, 23.866 Matom-step/s 99.0% CPU use with 2 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 1.2551 | 1.2731 | 1.2912 | 1.6 | 74.65 Neigh | 0.083248 | 0.087255 | 0.091261 | 1.4 | 5.12 Comm | 0.13358 | 0.14978 | 0.16598 | 4.2 | 8.78 Output | 0.00099442 | 0.0012447 | 0.001495 | 0.7 | 0.07 Modify | 0.1372 | 0.14 | 0.1428 | 0.7 | 8.21 Other | | 0.05417 | | | 3.18 Nlocal: 4070.5 ave 4085 max 4056 min Histogram: 1 0 0 0 0 0 0 0 0 1 Nghost: 207 ave 208 max 206 min Histogram: 1 0 0 0 0 0 0 0 0 1 Neighs: 35700 ave 35927 max 35473 min Histogram: 1 0 0 0 0 0 0 0 0 1 Total # of neighbors = 71400 Ave neighs/atom = 8.7704213 Neighbor list builds = 106 Dangerous builds = 0 Total wall time: 0:00:01 rm -rf test make[1]: Leaving directory '/<>' dh_auto_test -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build -Nlammps -Nliblammps-dev -Nliblammps0t64 -Npython3-lammps create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary dh binary --with python3,sphinxdoc --sourcedirectory=cmake --builddirectory=/<>/debian/build dh_testroot -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_prep -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_auto_install -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build -Nlammps-doc -Nlammps-data -Nlammps-examples cd debian/build && make -j4 install DESTDIR=/<>/lammps-20240207\+dfsg/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/<>/debian/build' /usr/bin/cmake -P /<>/debian/build/CMakeFiles/VerifyGlobs.cmake /usr/bin/cmake -S/<>/cmake -B/<>/debian/build --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 preinstall make[2]: Entering directory '/<>/debian/build' make[2]: Nothing to be done for 'preinstall'. make[2]: Leaving directory '/<>/debian/build' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "None" -- Installing: /<>/debian/tmp/usr/bin/lmp -- Set non-toolchain portion of runtime path of "/<>/debian/tmp/usr/bin/lmp" to "" -- Installing: /<>/debian/tmp/usr/include/lammps/angle.h -- Installing: /<>/debian/tmp/usr/include/lammps/atom.h -- Installing: /<>/debian/tmp/usr/include/lammps/bond.h -- Installing: /<>/debian/tmp/usr/include/lammps/citeme.h -- Installing: /<>/debian/tmp/usr/include/lammps/comm.h -- Installing: /<>/debian/tmp/usr/include/lammps/command.h -- Installing: /<>/debian/tmp/usr/include/lammps/compute.h -- Installing: /<>/debian/tmp/usr/include/lammps/dihedral.h -- Installing: /<>/debian/tmp/usr/include/lammps/domain.h -- Installing: /<>/debian/tmp/usr/include/lammps/error.h -- Installing: /<>/debian/tmp/usr/include/lammps/exceptions.h -- Installing: /<>/debian/tmp/usr/include/lammps/fix.h -- Installing: /<>/debian/tmp/usr/include/lammps/force.h -- Installing: /<>/debian/tmp/usr/include/lammps/group.h -- Installing: /<>/debian/tmp/usr/include/lammps/improper.h -- Installing: /<>/debian/tmp/usr/include/lammps/input.h -- Installing: /<>/debian/tmp/usr/include/lammps/info.h -- Installing: /<>/debian/tmp/usr/include/lammps/kspace.h -- Installing: /<>/debian/tmp/usr/include/lammps/lammps.h -- Installing: /<>/debian/tmp/usr/include/lammps/lattice.h -- Installing: /<>/debian/tmp/usr/include/lammps/library.h -- Installing: /<>/debian/tmp/usr/include/lammps/lmppython.h -- Installing: /<>/debian/tmp/usr/include/lammps/lmptype.h -- Installing: /<>/debian/tmp/usr/include/lammps/memory.h -- Installing: /<>/debian/tmp/usr/include/lammps/modify.h -- Installing: /<>/debian/tmp/usr/include/lammps/neighbor.h -- Installing: /<>/debian/tmp/usr/include/lammps/neigh_list.h -- Installing: /<>/debian/tmp/usr/include/lammps/output.h -- Installing: /<>/debian/tmp/usr/include/lammps/pair.h -- Installing: /<>/debian/tmp/usr/include/lammps/platform.h -- Installing: /<>/debian/tmp/usr/include/lammps/pointers.h -- Installing: /<>/debian/tmp/usr/include/lammps/region.h -- Installing: /<>/debian/tmp/usr/include/lammps/timer.h -- Installing: /<>/debian/tmp/usr/include/lammps/universe.h -- Installing: /<>/debian/tmp/usr/include/lammps/update.h -- Installing: /<>/debian/tmp/usr/include/lammps/utils.h -- Installing: /<>/debian/tmp/usr/include/lammps/variable.h -- Installing: /<>/debian/tmp/usr/include/lammps/fmt/core.h -- Installing: /<>/debian/tmp/usr/include/lammps/fmt/format.h -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/liblammps.so.0 -- Set non-toolchain portion of runtime path of "/<>/debian/tmp/usr/lib/x86_64-linux-gnu/liblammps.so.0" to "" -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/liblammps.so -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/pkgconfig/liblammps.pc -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/cmake/LAMMPS/LAMMPS_Targets.cmake -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/cmake/LAMMPS/LAMMPS_Targets-none.cmake -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/cmake/LAMMPS/LAMMPSConfig.cmake -- Installing: /<>/debian/tmp/usr/lib/x86_64-linux-gnu/cmake/LAMMPS/LAMMPSConfigVersion.cmake -- Installing: /<>/debian/tmp/usr/share/man/man1/lmp.1 -- Installing: /<>/debian/tmp/etc/profile.d/lammps.sh -- Installing: /<>/debian/tmp/etc/profile.d/lammps.csh make[1]: Leaving directory '/<>/debian/build' debian/rules execute_after_dh_auto_install-arch make[1]: Entering directory '/<>' LD_LIBRARY_PATH=/<>/debian/tmp/usr/lib/x86_64-linux-gnu \ CMAKE_PREFIX_PATH=/<>/debian/tmp/usr/lib/x86_64-linux-gnu/cmake \ pybuild --dir=/<>/python --system=pyproject --name=lammps ERROR: ld.so: object 'libfakeroot-sysv.so' from LD_PRELOAD cannot be preloaded (cannot open shared object file): ignored. I: pybuild plugin_pyproject:129: Building wheel for python3.12 with "build" module I: pybuild base:305: python3.12 -m build --skip-dependency-check --no-isolation --wheel --outdir /<>/.pybuild/cpython3_3.12_lammps ERROR: ld.so: object 'libfakeroot-sysv.so' from LD_PRELOAD cannot be preloaded (cannot open shared object file): ignored. ERROR: ld.so: object 'libfakeroot-sysv.so' from LD_PRELOAD cannot be preloaded (cannot open shared object file): ignored. * Building wheel... ERROR: ld.so: object 'libfakeroot-sysv.so' from LD_PRELOAD cannot be preloaded (cannot open shared object file): ignored. running bdist_wheel running build running build_py creating build creating build/lib creating build/lib/lammps copying lammps/formats.py -> build/lib/lammps copying lammps/constants.py -> build/lib/lammps copying lammps/numpy_wrapper.py -> build/lib/lammps copying lammps/data.py -> build/lib/lammps copying lammps/core.py -> build/lib/lammps copying lammps/__init__.py -> build/lib/lammps copying lammps/pylammps.py -> build/lib/lammps creating build/lib/lammps/mliap copying lammps/mliap/pytorch.py -> build/lib/lammps/mliap copying lammps/mliap/mliap_unified_lj.py -> build/lib/lammps/mliap copying lammps/mliap/mliap_unified_abc.py -> build/lib/lammps/mliap copying lammps/mliap/loader.py -> build/lib/lammps/mliap copying lammps/mliap/__init__.py -> build/lib/lammps/mliap installing to build/bdist.linux-x86_64/wheel running install running install_lib creating build/bdist.linux-x86_64 creating build/bdist.linux-x86_64/wheel creating build/bdist.linux-x86_64/wheel/lammps copying build/lib/lammps/formats.py -> build/bdist.linux-x86_64/wheel/lammps copying build/lib/lammps/constants.py -> build/bdist.linux-x86_64/wheel/lammps copying build/lib/lammps/numpy_wrapper.py -> build/bdist.linux-x86_64/wheel/lammps copying build/lib/lammps/data.py -> build/bdist.linux-x86_64/wheel/lammps copying build/lib/lammps/core.py -> build/bdist.linux-x86_64/wheel/lammps copying build/lib/lammps/__init__.py -> build/bdist.linux-x86_64/wheel/lammps creating build/bdist.linux-x86_64/wheel/lammps/mliap copying build/lib/lammps/mliap/pytorch.py -> build/bdist.linux-x86_64/wheel/lammps/mliap copying build/lib/lammps/mliap/mliap_unified_lj.py -> build/bdist.linux-x86_64/wheel/lammps/mliap copying build/lib/lammps/mliap/mliap_unified_abc.py -> build/bdist.linux-x86_64/wheel/lammps/mliap copying build/lib/lammps/mliap/loader.py -> build/bdist.linux-x86_64/wheel/lammps/mliap copying build/lib/lammps/mliap/__init__.py -> build/bdist.linux-x86_64/wheel/lammps/mliap copying build/lib/lammps/pylammps.py -> build/bdist.linux-x86_64/wheel/lammps running install_egg_info running egg_info creating lammps.egg-info writing lammps.egg-info/PKG-INFO writing dependency_links to lammps.egg-info/dependency_links.txt writing top-level names to lammps.egg-info/top_level.txt writing manifest file 'lammps.egg-info/SOURCES.txt' reading manifest file 'lammps.egg-info/SOURCES.txt' writing manifest file 'lammps.egg-info/SOURCES.txt' Copying lammps.egg-info to build/bdist.linux-x86_64/wheel/lammps-2024.2.7.egg-info running install_scripts creating build/bdist.linux-x86_64/wheel/lammps-2024.2.7.dist-info/WHEEL creating '/<>/.pybuild/cpython3_3.12_lammps/.tmp-lgvsp_et/lammps-2024.2.7-py3-none-any.whl' and adding 'build/bdist.linux-x86_64/wheel' to it adding 'lammps/__init__.py' adding 'lammps/constants.py' adding 'lammps/core.py' adding 'lammps/data.py' adding 'lammps/formats.py' adding 'lammps/numpy_wrapper.py' adding 'lammps/pylammps.py' adding 'lammps/mliap/__init__.py' adding 'lammps/mliap/loader.py' adding 'lammps/mliap/mliap_unified_abc.py' adding 'lammps/mliap/mliap_unified_lj.py' adding 'lammps/mliap/pytorch.py' adding 'lammps-2024.2.7.dist-info/METADATA' adding 'lammps-2024.2.7.dist-info/WHEEL' adding 'lammps-2024.2.7.dist-info/top_level.txt' adding 'lammps-2024.2.7.dist-info/RECORD' removing build/bdist.linux-x86_64/wheel Successfully built lammps-2024.2.7-py3-none-any.whl I: pybuild plugin_pyproject:144: Unpacking wheel built for python3.12 with "installer" module I: pybuild plugin_pyproject:178: Copying package built for python3.12 to destdir I: pybuild base:305: cd /<>/.pybuild/cpython3_3.12_lammps/build; python3.12 -m unittest discover -v ERROR: ld.so: object 'libfakeroot-sysv.so' from LD_PRELOAD cannot be preloaded (cannot open shared object file): ignored. ERROR: ld.so: object 'libfakeroot-sysv.so' from LD_PRELOAD cannot be preloaded (cannot open shared object file): ignored. ---------------------------------------------------------------------- Ran 0 tests in 0.000s NO TESTS RAN make[1]: Leaving directory '/<>' dh_install -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_installdocs -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules override_dh_sphinxdoc make[1]: Entering directory '/<>' echo "sphinx and dh_sphinx are broken for lammps docs. See Bug#1059621" sphinx and dh_sphinx are broken for lammps docs. See Bug#1059621 make[1]: Leaving directory '/<>' dh_installchangelogs -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules override_dh_installexamples make[1]: Entering directory '/<>' dh_installexamples -X.gitignore make[1]: Leaving directory '/<>' debian/rules override_dh_installman-arch make[1]: Entering directory '/<>' sed -i 's|TH LAMMPS|TH LAMMPS \"1\"|g' /<>/debian/tmp/usr/share/man/man1/lmp.1 dh_installman -a make[1]: Leaving directory '/<>' dh_installman -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build -Nlammps -Nliblammps-dev -Nliblammps0t64 -Npython3-lammps debian/rules execute_before_dh_python3-arch make[1]: Entering directory '/<>' set -e; \ cd python/examples; \ LD_LIBRARY_PATH=/<>/debian/tmp/usr/lib/x86_64-linux-gnu \ PYTHONPATH=/<>/debian/python3-lammps/usr/lib/python3.12/dist-packages:${PYTHONPATH} \ python3 demo.py ERROR: ld.so: object 'libfakeroot-sysv.so' from LD_PRELOAD cannot be preloaded (cannot open shared object file): ignored. ERROR: ld.so: object 'libfakeroot-sysv.so' from LD_PRELOAD cannot be preloaded (cannot open shared object file): ignored. LAMMPS (7 Feb 2024 - Update 1) Python output: Natoms, mass, x[0][0] coord = 4000 1.0 16.767988851705528 Temperature from compute = 0.7571533403732014 Energy from equal-style variable = -5.758142569688168 Velocity component from atom-style variable = -1.0131655567386921 Volume from get_thermo = 4738.213693437576 Natoms from get_natoms = 4000 Global coords from gather_atoms = 16.767988851705528 16.621004261651628 0.14158807746974947 Changed x[0][0] via scatter_atoms = 17.767988851705528 OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task Lattice spacing in x,y,z = 1.6795962 1.6795962 1.6795962 Created orthogonal box = (0 0 0) to (16.795962 16.795962 16.795962) 1 by 1 by 1 MPI processor grid Created 4000 atoms using lattice units in orthogonal box = (0 0 0) to (16.795962 16.795962 16.795962) create_atoms CPU = 0.001 seconds Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 20 steps, delay = 0 steps, check = no max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 2.8 ghost atom cutoff = 2.8 binsize = 1.4, bins = 12 12 12 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair lj/cut, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/3d bin: standard Setting up Verlet run ... Unit style : lj Current step : 0 Time step : 0.005 Per MPI rank memory allocation (min/avg/max) = 3.763 | 3.763 | 3.763 Mbytes Step Temp E_pair E_mol TotEng Press 0 1.44 -6.7733681 0 -4.6139081 -5.0199732 100 0.75715334 -5.7581426 0 -4.6226965 0.20850222 Loop time of 0.186646 on 1 procs for 100 steps with 4000 atoms Performance: 231454.679 tau/day, 535.775 timesteps/s, 2.143 Matom-step/s 100.0% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.15443 | 0.15443 | 0.15443 | 0.0 | 82.74 Neigh | 0.025426 | 0.025426 | 0.025426 | 0.0 | 13.62 Comm | 0.0034914 | 0.0034914 | 0.0034914 | 0.0 | 1.87 Output | 3.8292e-05 | 3.8292e-05 | 3.8292e-05 | 0.0 | 0.02 Modify | 0.0024783 | 0.0024783 | 0.0024783 | 0.0 | 1.33 Other | | 0.0007796 | | | 0.42 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 5754 ave 5754 max 5754 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 150362 ave 150362 max 150362 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 150362 Ave neighs/atom = 37.5905 Neighbor list builds = 5 Dangerous builds not checked Total wall time: 0:00:00 make[1]: Leaving directory '/<>' dh_python3 -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_installsystemduser -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_lintian -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_perl -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_link -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_strip_nondeterminism -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules override_dh_compress make[1]: Entering directory '/<>' dh_compress -X.pdf make[1]: Leaving directory '/<>' dh_fixperms -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules execute_after_dh_fixperms-indep make[1]: Entering directory '/<>' find /<>/debian/lammps-examples/usr/share/lammps/examples/ -type f -a -not -name *.sh -print -exec chmod 644 {} \; /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo-0-0.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/in.airebo-0-0 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.rebo2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/in.airebo-m /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/in.airebo /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.rebo2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/data.airebo /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo-m.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo-0-0.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/in.rebo2 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/airebo/log.30Apr2019.airebo-m.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/log.27Oct21.mos2_sw_mod.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/single_layer_MoS2.data /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/in.threebody /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/log.29Sep21.threebody.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/in.mos2.sw.mod /<>/debian/lammps-examples/usr/share/lammps/examples/threebody/log.29Sep21.threebody.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/dipole/in.dipole /<>/debian/lammps-examples/usr/share/lammps/examples/dipole/log.27Nov18.dipole.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/dipole/log.27Nov18.dipole.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/DIFFUSE/log.3Aug18.msd.2d.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/DIFFUSE/in.msd.2d /<>/debian/lammps-examples/usr/share/lammps/examples/DIFFUSE/README /<>/debian/lammps-examples/usr/share/lammps/examples/DIFFUSE/in.vacf.2d /<>/debian/lammps-examples/usr/share/lammps/examples/DIFFUSE/log.3Aug18.vacf.2d.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/peptide/in.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/peptide/data.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/peptide/log.27Nov18.peptide.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/peptide/log.27Nov18.peptide.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/lammps_spparks/in.lammps /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/lammps_spparks/spkpath.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/lammps_spparks/log.spparks.1 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/lammps_spparks/log.lammps.1 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/lammps_spparks/log.lammps.4 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/lammps_spparks/in.spparks /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/lammps_spparks/lmpspk.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/lammps_spparks/lmppath.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/lammps_spparks/Makefile.mpi /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/lammps_spparks/README /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/lammps_spparks/log.spparks.4 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/python/example.py /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/python/in.fix_external /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/multiple/multiple.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/multiple/data.chain /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/multiple/in.chain /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/multiple/README /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/plugin/log.simple.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/plugin/liblammpsplugin.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/plugin/simple.c /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/plugin/log.simple.plugin.4 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/plugin/liblammpsplugin.c /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/plugin/CMakeLists.txt /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/plugin/in.lj /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/plugin/README /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/log.simple.c++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/simple.c /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/simple.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/simple.f90 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/CMakeLists.txt /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/log.simple.c++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/in.lj /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/simple/README /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/README /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/irregular.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/many2one.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/files.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/memorylib.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/many2many.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/irregular.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/send2one.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/files.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/memorylib.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/lammps_data_write.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/one2many.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/many2one.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/errorlib.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/one2many.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/lammps_data_write.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/Makefile.mpi /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/errorlib.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/README /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/send2one.h /<>/debian/lammps-examples/usr/share/lammps/examples/COUPLE/library/many2many.h /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/in.coreshell.dsf /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.dsf.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.wolf.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/in.coreshell.thermostats /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/in.coreshell /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.dsf.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/data.coreshell /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/in.coreshell.wolf /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.wolf.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/ffield.reax.cho /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/buck.inc /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/log.20Apr21.qeq.buck.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/log.30Nov23.reaxff.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/param.qeq2 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/log.20Apr21.qeq.buck.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/in.qeq.buck /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/log.30Nov23.reaxff.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/data.CHO /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/in.qeq.reaxff /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/param.qeq.reax /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/data.aC /<>/debian/lammps-examples/usr/share/lammps/examples/qeq/param.qeq1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/exchange_fit_fcc_co/exchange_fit.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/exchange_fit_fcc_co/exchange_fcc_cobalt.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/log.14Apr20.spin.cobalt_fcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/Co_PurjaPun_2012.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_fcc/log.14Apr20.spin.cobalt_fcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/setforce_spin/log.14Apr20.spin.setforce.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/setforce_spin/in.spin.setforce /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/setforce_spin/log.14Apr20.spin.setforce.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/vmd/vmd_nano.vmd /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/log.14Apr20.spin.nickel_cubic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/log.14Apr20.spin.nickel.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/Ni99.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/in.spin.nickel_cubic /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/in.spin.nickel /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/log.14Apr20.spin.nickel.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/exchange_fit_fcc_ni/exchange_fit.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/exchange_fit_fcc_ni/exchange_fcc_ni2.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/exchange_fit_fcc_ni/exchange_fcc_ni.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/nickel/log.14Apr20.spin.nickel_cubic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/bfo/in.spin.bfo /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/bfo/log.14Apr20.spin.bfo.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/bfo/log.14Apr20.spin.bfo.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/skyrmion/final.skyrmion /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/skyrmion/in.gneb.skyrmion /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/skyrmion/initial.skyrmion /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/README /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/iron/final.iron_spin /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/iron/in.gneb.iron /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/gneb/iron/initial.iron_spin /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nve/in.spin.iron-nve /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nve/Fe_Mishin2006.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nve/plot_nve.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d1.0/plot_precession.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d1.0/test-prec-spin.template /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d1.0/langevin.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d0.01/plot_precession.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d0.01/test-prec-spin.template /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_langevin_precession_d0.01/langevin.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_exchange/llg_exchange.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_exchange/plot_precession.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_exchange/test-spin-precession.in /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/README /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nvt/plot_nvt.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nvt/Fe_Mishin2006.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nvt/in.spin.nvt_lattice /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_nvt/in.spin.nvt_spin /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_precession/plot_precession.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_precession/test-spin-precession.in /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/test_problems/validation_damped_precession/llg_precession.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/README /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/in.spin.bfo_min /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min_lbfgs.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/in.spin.bfo_min_lbfgs /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min_cg.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.iron_min.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min_cg.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/in.spin.bfo_min_cg /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/in.spin.iron_min /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.iron_min.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/spinmin/log.14Apr20.spin.bfo_min_lbfgs.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_hcp/exchange_fit_hcp_co/exchange_fit.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_hcp/exchange_fit_hcp_co/exchange_hcp_co.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_hcp/log.14Apr20.spin.cobalt_hcp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/cobalt_hcp/log.14Apr20.spin.cobalt_hcp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/fe_dd.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_fit.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_bcc_iron.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_pppm.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_cut.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_cut /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_pppm.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_cut.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_ewald.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_ewald.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/Norm_randXY_8x8x32.data /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/in.spin.write_restart /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.write_restart.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.restart.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.write_restart.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.read_data.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/in.spin.read_data /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/Co_PurjaPun_2012.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.read_data.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/log.14Apr20.spin.restart.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/in.spin.restart /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/read_restart/restart_hcp_cobalt.equil /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron_cubic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/in.spin.iron /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/fe_dd.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/Fe_Mishin2006.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/exchange_fit_bcc_iron/exchange_fit.py /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/exchange_fit_bcc_iron/exchange_bcc_iron.dat /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/in.spin.iron_cubic /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron_cubic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/multi/in.colloid /<>/debian/lammps-examples/usr/share/lammps/examples/multi/log.30Nov20.granular.intel.1 /<>/debian/lammps-examples/usr/share/lammps/examples/multi/log.30Nov20.granular.intel.4 /<>/debian/lammps-examples/usr/share/lammps/examples/multi/log.30Nov20.colloid.intel.1 /<>/debian/lammps-examples/usr/share/lammps/examples/multi/log.30Nov20.powerlaw.intel.4 /<>/debian/lammps-examples/usr/share/lammps/examples/multi/log.30Nov20.granular.old.intel.4 /<>/debian/lammps-examples/usr/share/lammps/examples/multi/in.powerlaw /<>/debian/lammps-examples/usr/share/lammps/examples/multi/log.30Nov20.colloid.old.intel.4 /<>/debian/lammps-examples/usr/share/lammps/examples/multi/log.30Nov20.colloid.intel.4 /<>/debian/lammps-examples/usr/share/lammps/examples/multi/log.30Nov20.colloid.old.intel.1 /<>/debian/lammps-examples/usr/share/lammps/examples/multi/data.powerlaw /<>/debian/lammps-examples/usr/share/lammps/examples/multi/in.granular /<>/debian/lammps-examples/usr/share/lammps/examples/multi/log.30Nov20.powerlaw.intel.1 /<>/debian/lammps-examples/usr/share/lammps/examples/multi/log.30Nov20.granular.old.intel.1 /<>/debian/lammps-examples/usr/share/lammps/examples/streitz/log.27Nov18.streitz.ewald.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/streitz/log.27Nov18.streitz.ewald.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/streitz/in.streitz.wolf /<>/debian/lammps-examples/usr/share/lammps/examples/streitz/in.streitz.ewald /<>/debian/lammps-examples/usr/share/lammps/examples/streitz/AlO.streitz /<>/debian/lammps-examples/usr/share/lammps/examples/streitz/log.27Nov18.streitz.wolf.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/streitz/AlO.eam.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/streitz/log.27Nov18.streitz.wolf.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/streitz/data.streitz /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomvar.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/data.rigid.tnr /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.rigid.molecule.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.infile.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.poems4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.poems2 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems3.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems5.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.property.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/unconnected-bodies.dat /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/connected-bodies2.dat /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.early.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.property.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.rigid.molecule.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.nve.early /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.tnr.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems5.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.molecule /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/bodies.txt /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.infile /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.early /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.poems /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.small /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.tnr /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.early.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems4.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.atomvar /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems4.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/molecule.data /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.tnr.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.gravity /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.nve /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/data.rigid-property /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.poems5 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.small.infile /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/connected-bodies.dat /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/data.rigid.small /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/bodyinfo.dat /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.early.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.molecule.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.atomfile /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.infile.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.property /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomfile.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.infile.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.molecule.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.infile.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomfile.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/in.rigid.poems3 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.early.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems3.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomvar.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rigid/data.rigid /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.fire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.abcfire_mod.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.meam.fire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.abcfire_mod.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.12Jan22.meam.abcfire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.neb.sivac.fire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.fire_mod.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.fire_mod.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.neb.sivac.qm /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.12Jan22.meam.fire.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/FeTiClibrary.meam /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.abcfire.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.fire_mod.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.meam.abcfire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/FeTiC.meam /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.12Jan22.meam.fire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.fire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.abcfire.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.fire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.abcfire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.12Jan22.meam.abcfire.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.abcfire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.qm.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.cg.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.fire_mod.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.cg /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.qm.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.fire.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.abcfire_mod /<>/debian/lammps-examples/usr/share/lammps/examples/fire/initial.sivac /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.neb.sivac.abcfire /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.neb.sivac.fire_mod /<>/debian/lammps-examples/usr/share/lammps/examples/fire/README /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.fire.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.cg.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/final.sivac /<>/debian/lammps-examples/usr/share/lammps/examples/fire/Si.sw /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.neb.sivac.abcfire_mod /<>/debian/lammps-examples/usr/share/lammps/examples/fire/in.fire_mod /<>/debian/lammps-examples/usr/share/lammps/examples/fire/log.10Jan22.neb.sivac.abcfire.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/fire/data.fe /<>/debian/lammps-examples/usr/share/lammps/examples/relres/Data.22DMH.in.real /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.relres.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/relres/Data.22DMH.in.relres /<>/debian/lammps-examples/usr/share/lammps/examples/relres/in.22DMH.respa /<>/debian/lammps-examples/usr/share/lammps/examples/relres/in.22DMH.relres /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.relres.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.real.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/relres/README /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.real.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/relres/in.22DMH.real /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.respa.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/relres/log.05Mar21.22DMH.respa.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.2d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.data.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/in.voronoi.data /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.data.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/in.voronoi /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/README /<>/debian/lammps-examples/usr/share/lammps/examples/voronoi/in.voronoi.2d /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.3d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.3d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.2d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.sph.g++.12 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/in.grid.3d /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.3d.g++.10 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.sph.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/in.sph /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.sph.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/grid/README /<>/debian/lammps-examples/usr/share/lammps/examples/grid/in.grid.2d /<>/debian/lammps-examples/usr/share/lammps/examples/grid/data.sph /<>/debian/lammps-examples/usr/share/lammps/examples/grid/log.1Dec22.grid.2d.g++.12 /<>/debian/lammps-examples/usr/share/lammps/examples/body/in.body /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.body.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/body/molecule.rod3d /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.squares.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.cubes.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.pour3d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/body/in.squares /<>/debian/lammps-examples/usr/share/lammps/examples/body/data.body /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.wall2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/body/in.wall2d /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.wall2d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/body/data.cubes /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.pour3d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/body/molecule.tetra /<>/debian/lammps-examples/usr/share/lammps/examples/body/molecule.cube /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.cubes.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.body.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/body/data.squares /<>/debian/lammps-examples/usr/share/lammps/examples/body/in.pour3d /<>/debian/lammps-examples/usr/share/lammps/examples/body/molecule.point3d /<>/debian/lammps-examples/usr/share/lammps/examples/body/in.cubes /<>/debian/lammps-examples/usr/share/lammps/examples/body/log.14Jun23.squares.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/in.pour.2d.molecule /<>/debian/lammps-examples/usr/share/lammps/examples/pour/molecule.vshape /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.2d.molecule.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/in.pour /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.2d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.2d.molecule.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/pour/in.pour.2d /<>/debian/lammps-examples/usr/share/lammps/examples/pour/log.16Mar23.pour.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/in.widom.spce /<>/debian/lammps-examples/usr/share/lammps/examples/mc/in.widom.lj /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.27Nov18.gcmc.h2o.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/in.pure /<>/debian/lammps-examples/usr/share/lammps/examples/mc/in.gcmc.co2 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/CO2.txt /<>/debian/lammps-examples/usr/share/lammps/examples/mc/data.bead /<>/debian/lammps-examples/usr/share/lammps/examples/mc/in.sgcmc.eam /<>/debian/lammps-examples/usr/share/lammps/examples/mc/in.mixed /<>/debian/lammps-examples/usr/share/lammps/examples/mc/data.spce /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.13Oct21.pure.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.13Oct21.mixed.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/in.gcmc.lj /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.03Mar22.gcmc.co2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.23Mar23.gcmc.lj.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/data.widom.lj /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.03Mar22.gcmc.h2o.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.13Dec22.sgcmc.eam.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.31Mar21.gcmc.co2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.14Jun23.widom.spce.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.14Jun23.widom.lj.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/H2O.txt /<>/debian/lammps-examples/usr/share/lammps/examples/mc/FeCu.pasianot.eamfs /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.13Dec22.sgcmc.eam.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.23Mar23.gcmc.lj.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/log.14Jun23.widom.lj.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mc/in.gcmc.h2o /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.18Mar22.pair_python_harmonic.openmp.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_melt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_spce.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_move_nve_melt.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_move_nve_melt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_coulomb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.18Mar22.pair_python_harmonic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_harmonic /<>/debian/lammps-examples/usr/share/lammps/examples/python/funcs.py /<>/debian/lammps-examples/usr/share/lammps/examples/python/README.pair_python /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.18Mar22.pair_python_harmonic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_hybrid /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_hybrid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_table.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/py_nve.py /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_melt /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_table.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_coulomb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.python /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_invoke.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.fix_python_invoke /<>/debian/lammps-examples/usr/share/lammps/examples/python/data.spce /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.18Mar22.pair_python_harmonic.opencl.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.fix_python_move_nve_melt_opt /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_long.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_spce.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_invoke.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/py_pot.py /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.python.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.fix_python_move_nve_melt_opt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.python.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_spce /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_long.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_coulomb /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_hybrid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/python/README.fix_python_move /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_long /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.fix_python_move_nve_melt /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.pair_python_table /<>/debian/lammps-examples/usr/share/lammps/examples/python/in.fix_python_invoke_neighlist /<>/debian/lammps-examples/usr/share/lammps/examples/python/log.27Nov18.pair_python_melt.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/contact_history.dat /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/log.8Apr21.tracker.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/in.track /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/reference/contact_history.dat /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/reference/lifetime_hist.dat /<>/debian/lammps-examples/usr/share/lammps/examples/tracker/lifetime_hist.dat /<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/LATTE/in.sucrose /<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/LATTE/log.22Mar23.graphene.plugin.1 /<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/LATTE/data.sucrose /<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/LATTE/in.sucrose.plugin /<>/debian/lammps-examples/usr/share/lammps/examples/QUANTUM/LATTE/in.water.min 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mesont/data.film_mesocnt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mesont/log.31Aug2022.film_mesocnt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.twowater.g++.4.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/in.twowater /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.twowater.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.alloy.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/in.alloy /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.twowater.g++.4.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.alloy.g++.4.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/log.25Feb23.alloy.g++.4.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/alchemy/h2o.mol /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/momb/Ag_O1X5.5_O2X0.55.eam.fs /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/momb/log.17Mar2017.system.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/momb/log.17Mar2017.system.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/momb/system.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/momb/in.system /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/momb/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_2_3.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_3_3.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/data.after_production_run /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/data.after_equilibration /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/log.lammps /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_1_3.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_1_1.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_1_2.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/tmp_2_2.rdf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/slater/in.slater /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.langevin.metal.g++.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.pimd-langevin.metal.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.pimd-langevin.metal.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/data.metalnpt01 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/in.langevin.metal /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/data.metalnpt03 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.pimd-langevin.metal.g++.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.langevin.metal.g++ /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.langevin.metal.g++.3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.pimd-langevin.metal.g++ /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.pimd-langevin.metal.g++.3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/data.metalnpt04 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.langevin.metal.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/log.16Nov23.langevin.metal.g++.2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/in.pimd-langevin.metal /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_metal_units/data.metalnpt02 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.6 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.5 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/in.scp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/system.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.7 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/prot-hairpin/log.25Feb23.scp.g++.8.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_reduced_units/log.14Jun23.langevin.reduced.g++.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_reduced_units/data.lj01 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_reduced_units/log.14Jun23.langevin.reduced.g++ /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_reduced_units/data.lj02 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_reduced_units/in.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/langevin_reduced_units/log.14Jun23.langevin.reduced.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/H2.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/log.25Feb23.scp.g++.8.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/log.25Feb23.scp.g++.8.6 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/log.25Feb23.scp.g++.8.5 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/in.scp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/log.25Feb23.scp.g++.8.2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/H2.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/NM.info /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/log.25Feb23.scp.g++.8.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/log.25Feb23.scp.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/log.25Feb23.scp.g++.8.7 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/log.25Feb23.scp.g++.8.3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/log.25Feb23.scp.g++.8.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/pair.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pimd/para-h2/vmd.src /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/extep/log.23Oct17.extep-bn.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/extep/in.extep-bn /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/extep/log.23Oct17.extep-bn.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/extep/BN.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/data.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/out.colvars.state.old /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/peptide.colvars /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/peptide2.colvars.state /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-spring2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/out2.colvars.traj /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/peptide2.colvars.traj /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-colvars.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/in.peptide-colvars /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/in.peptide-spring2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-colvars.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/out.colvars.traj /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-colvars2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/out2.colvars.state /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/out.colvars.state /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-spring2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/in.peptide-spring /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-colvars2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-spring.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/peptide.colvars2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/peptide.psf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/in.peptide-colvars2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/colvars/log.27Nov18.peptide-spring.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/log.10Mar21.dpdext.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/log.10Mar21.dpdext.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/in.dpdext /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext/log.5Apr22.dpdext.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd_tstat/cg_spce_table.pot /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd_tstat/log.5Apr22.dpd_tstat.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd_tstat/in.dpd_tstat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd_tstat/cg_spce.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd_tstat/log.5Apr22.dpd_tstat.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/in.dpd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext_tstat/in.dpdext_tstat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext_tstat/log.5Apr22.dpdext_tstat.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/dpdext_tstat/log.5Apr22.dpdext_tstat.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-basic/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp/log.28Jul2021.srp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp/data.chain /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp/log.28Jul2021.srp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp/in.srp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/mopz0.time.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/log.5Sep18.compute_stress_mop.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/log.5Sep18.compute_stress_mop.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/in.compute_stress_mop /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/moppz.time.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mop/data.mop /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cnp/in.cnp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cnp/Cu_Mishin1.eam /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cnp/log.31May17.cnp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/log.20Jan21.vacancy.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/log.20Jan21.vacancy.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/adatom.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/log.20Jan21.adatom.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/vacancy.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/in.vacancy /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/in.adatom /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/Al_jpc.agni /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/agni/log.20Jan21.adatom.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/log.27Nov18.pegc12e8-angle.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/log.27Nov18.pegc12e8-angle.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/log.27Nov18.pegc12e8.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/in.pegc12e8 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/in.pegc12e8-angle /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/log.27Nov18.pegc12e8.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/peg-verlet/data.pegc12e8.gz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/log.27Nov18.sds-regular.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/data.sds.gz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/log.27Nov18.sds-hybrid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/in.sds-regular /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/log.27Nov18.sds-regular.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/in.sds-hybrid /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgspica/sds-monolayer/log.27Nov18.sds-hybrid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/in.pits /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/log.09Mar22.pits.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/data.one_radius16d2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/log.09Mar22.pits.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/confined_colloid/in.confined_colloids /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/confined_colloid/log.09Mar22.confined_colloids.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/translocation/log.09Mar22.translocation.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/translocation/in.translocation /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/translocation/data.translocation /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/planewall/in.planewall /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/planewall/log.09Mar22.planewall.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/planewall/data.one_radius16d2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/toycar/in.toycar /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/toycar/log.09Mar22.toycar.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/polymer/in.polymer /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/polymer/log.09Mar22.polymer.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/polymer/data.polymer /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/dragforce/in.dragtest /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/dragforce/log.09Mar22.dragtest.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/dragforce/log.09Mar22.dragtest.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/microrheology/in.microrheology /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/microrheology/data.two /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/microrheology/log.09Mar22.microrheology.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/diffusingsphere/log.09Mar22.trapnewsphere.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/latboltz/diffusingsphere/in.trapnewsphere /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/vtk/in.vtp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/vtk/in.vtk /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/Volume_BCC.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/Displaced_FCC.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/Elastic_FCC.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/GSF_112.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/Displaced_A15.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/Elastic_BCC.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/Volume_FCC.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/Displaced_BCC.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/GSF_110.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/Liquid.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/Volume_A15.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/XYZ/Surface.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/log.4Jan23.fitpod.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/Ta_training_analysis.pod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pod/Ta/Ta_param.pod 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manybody_table/in.spce2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manybody_table/spce.sw /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manybody_table/spce2.3b /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manybody_table/data.spce /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce_sw.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manybody_table/data.spce2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manybody_table/1-1-2.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manybody_table/spce.3b /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manybody_table/README 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/log.7Aug19.toluene.lang.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/data.toluene /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/in.toluene.nh /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/log.7Aug19.toluene.nh.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/in.toluene.lang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/log.7Aug19.toluene.lang.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/toluene/log.7Aug19.toluene.nh.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/data.butane /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/log.27Nov18.butane.nh.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/butane/log.27Nov18.butane.nh.g++.1 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethylene_glycol/data.ethylene_glycol /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/ethylene_glycol/log.18Sep20.ethylene_glycol.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/drude/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/in.slcsa /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/log.12Dec23.slcsa.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/data.zr_cell /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lr_decision.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lr_bias.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/mahalanobis_file.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/mean_descriptor.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lda_scalings.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/log.12Dec23.slcsa.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.Si.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.TiO2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.TiO2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/in.meam-spline.Si /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/in.meam-spline.TiO2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.Si.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/momentum/in.momentum 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/plugin/CMakeLists.txt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/plugin/paceplugin.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/plugin/README.txt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/plugin/paceplugin.nsis /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/log.03Feb2021.pace.product.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/log.03Feb2021.pace.recursive.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/in.pace.product /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pace/in.pace.recursive /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp_react/gel_equil.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp_react/in.srp_react /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/srp_react/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/diffraction/in.BulkNi /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/diffraction/log.27Nov18.BulkNi.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/diffraction/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/diffraction/Output/log.cite /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/diffraction/Output/bulkNi.hist.xrd.correct /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/diffraction/Output/bulkNi_001.saed.0.vtk.correct /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/diffraction/Output/bulkNi.log.correct /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/diffraction/Output/bulkNi_001.saed.0_VisIt_Image.png /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/diffraction/log.27Nov18.BulkNi.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/log.27Nov18.h_atom.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/log.27Nov18.h_molecule.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/data.h_atom /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/data.h_molecule /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/log.27Nov18.h_atom.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/in.h_atom /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/in.h_molecule /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/awpmd/log.27Nov18.h_molecule.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.vac0-bcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.potin /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.vacmin-bcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/in.vacmin-bcc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/in.vac0-bcc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.bcc0.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.bcc0.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/in.bcc0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.parmin /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.vac0-bcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.vacmin-bcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/rxn1_stp2_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.unstabilized.g++.1 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/log.4Nov2022.large_nylon_melt.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp2_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp2_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/log.4Nov2022.large_nylon_melt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/large_nylon_melt.data.gz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp2.map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp2_post.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1_pre.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/tiny_epoxy.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp2_post.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1_post.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/log.4Nov2022.tiny_epoxy.stabilized.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp2.map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1_post.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1_pre.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/log.4Nov2022.tiny_epoxy.stabilized.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1.map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1.map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/trimer.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene_post.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene_pre.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/log.4Nov2022.grow_styrene.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene.map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/log.4Nov2022.grow_styrene.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/log.4Nov2020.tiny_polystyrene.stabilized.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/log.4Nov19.tiny_polystyrene.stabilized.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_unreacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_map /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_reacted.molecule_template /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/tiny_polystyrene.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/Data_wall /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/log.23Jun17.fix_wall.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/log.23Jun17.fix_wall.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/log.23Jun17.fix_wall_region.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/log.23Jun17.fix_wall_region.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/Data_region /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/in.fix_wall_region /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ees/in.fix_wall /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/yaff/mof5/lammps.in /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/yaff/mof5/lammps.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/yaff/mil53al/lammps.in /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/yaff/mil53al/lammps.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/yaff/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/data.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.5 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.0 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.6 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/log.temper_npt-17Aug17.g++.8.7 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/temper_npt/in.temper_npt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/nvt_uniaxial/data.wca /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/nvt_uniaxial/log.27Nov18.nvt_uniaxial.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/nvt_uniaxial/in.nvt_uniaxial /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/npt_biaxial/data.wca /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/npt_biaxial/log.27Nov18.npt_biaxial.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/uef/npt_biaxial/in.npt_biaxial /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/balance/adios2_config.xml /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/balance/log.balance /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/balance/in.adios_balance /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/balance/in.adios_balance2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/in.read_dump /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/log.20Jan20.first.g++.7.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/adios2_config.xml /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/in.first /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/log.20Jan20.rerun.g++.7.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/log.20Jan20.read_dump.g++.7.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/adios/rerun/in.rerun /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.gmres.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.dof.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.dof.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.icc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.icc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.gmres.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.gmres.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/data.sphere /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.icc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/in.nopbc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/in.confined /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.icc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.gmres.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.nopbc.dof.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/log.07Mar23.confined.dof.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dielectric/data.confined /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.2Jul21.duplex2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/log.2Jul21.duplex2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/data.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex2/in.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/data.duplex1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.2Jul21.duplex1.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/in.duplex1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA/duplex1/log.2Jul21.duplex1.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.2Jul21.duplex2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/log.2Jul21.duplex2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/data.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxRNA2/duplex2/in.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/data.duplex3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.2Jul21.duplex3.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/in.duplex3 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex3/log.2Jul21.duplex3.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.8type.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.4type.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.4type /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.8type /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/in.duplex4.8type /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/generate_unique.py /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/data.duplex4.4type /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.4type.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/unique_bp/log.2Jul21.duplex4.8type.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.2Jul21.duplex2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/log.2Jul21.duplex2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/data.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex2/in.duplex2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/data.dsring /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/log.2Jul21.dsring.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/in.dsring /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/dsring/log.2Jul21.dsring.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/data.duplex1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.2Jul21.duplex1.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/in.duplex1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/examples/oxDNA2/duplex1/log.2Jul21.duplex1.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/util/input.ref /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/util/sequence.txt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/util/generate_simple.py /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/util/generate.py /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/util/sequence_simple.txt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cgdna/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ti/in.ti_spring /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/data.h2o-quantum /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/qt-300k.A /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/log.h2o-smart /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/log.h2o-quantum /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/qt-300k.C /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/in.h2o-smart /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/in.h2o-quantum /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/smart.A /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gle/data.h2o-smart /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ptm/ptm_example.in /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/log.27Nov18.hkust1.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/log.27Nov18.hkust1_long.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/in.hkust1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/in.hkust1_long /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/log.27Nov18.hkust1.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/hkust1.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/mofff/log.27Nov18.hkust1_long.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gauss_diel/log.gauss-diel-cg /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gauss_diel/in.gauss-diel-cg /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gauss_diel/in.gauss-diel /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gauss_diel/log.gauss-diel-split /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gauss_diel/data.gauss-diel /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gauss_diel/log.gauss-diel /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/gauss_diel/in.gauss-diel-split /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-smooth/equipartition-verification/in.lammps /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-smooth/equipartition-verification/log.28Mar23.equipartition.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-smooth/equipartition-verification/log.28Mar23.equipartition.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-smooth/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/in.lammps /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/log.28Mar23.2d-diffusion-in-shear-flow.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-smooth/2d-diffusion-in-shear-flow/log.28Mar23.2d-diffusion-in-shear-flow.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-smooth/2d-diffusion/in.lammps /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-smooth/2d-diffusion/log.28Mar23.2d-diffusion.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-smooth/2d-diffusion/log.28Mar23.2d-diffusion.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/in.hybrid /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/data.H2O-360mol /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/weights.001.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/scaling.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/weights.008.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/input.nn /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/hdnnp/in.hdnnp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/log.6Jul17.GD.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/Vy_profile /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/x_profiles /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/GD.out /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/in.GD /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/flow_gauss/log.6Jul17.GD.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpde-shardlow/in.dpde-shardlow /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpde-shardlow/data.dpde /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpde-shardlow/log.dpde-shardlow.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpd-shardlow/in.dpd-shardlow /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpd-shardlow/data.dpd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpd-shardlow/log.dpd-shardlow.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdrx-shardlow/in.dpdrx-shardlow /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdrx-shardlow/params.exp6 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdrx-shardlow/kinetics.dpdrx /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdrx-shardlow/thermo.dpdrx /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdrx-shardlow/log.dpdrx-shardlow.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdrx-shardlow/table.eos /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/multi-lucy/log.multi-lucy.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/multi-lucy/in.multi-lucy /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/multi-lucy/table.multibody /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdh-shardlow/in.dpdh-shardlow /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdh-shardlow/data.dpdh /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdh-shardlow/log.dpdh-shardlow.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdp-shardlow/data.dpd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdp-shardlow/log.dpdp-shardlow.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpdp-shardlow/in.dpdp-shardlow /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpde-vv/log.dpde-vv.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpde-vv/data.dpd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpde-vv/in.dpde-vv /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpd-vv/data.dpd /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpd-vv/in.dpd-vv /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/dpd-react/dpd-vv/log.dpd-vv.reference /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/log.10Feb21.chreg-acid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/in.chreg-polymer /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/charge_regulation/data.chreg-acid 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/fdti10.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/log.fdti10 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/fep01.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/log.fep01 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/log.fep10 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/fep10.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/log.fdti01 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/fep01-q.out /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/in-fep01-lj.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/fep01-lj.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/fep10-lj.out /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/fep10-q.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/fep10-q.out /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/fep10-lj.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/in-fep10-q.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep10/in-fep10-lj.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/mols/spce.zmat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/mols/spce_h.ff /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/mols/spce_h.zmat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/mols/data.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/mols/spce.ff /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/quicktests/in_adapt.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/quicktests/log.adapt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/quicktests/in_fep_soft.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/quicktests/log.fep_soft /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/ta/spce.fep.ta /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/ta/in.spce.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/ta/data.spce /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/ta/log.spce /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/fep01.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/in.fep01.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/log.fep01 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/log.fep10 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/in.fep10.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/fep10.fep /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/CC-CO.ff /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/CO-CC.zmat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/spce.zmat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/CC-CO.zmat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/spce.ff /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/data.0.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/data.1.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/log.insertion /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/data.init_conf_with_heptane /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/in.insertion /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/data.init_conf_with_heptane /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/in.deletion /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/log.deletion /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.pair.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/log.27Oct21.methanol_implicit_water.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.localdensity.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/log.27Oct21.methanol_implicit_water.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/log.27Oct21.benzene_water.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.pair.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.localdensity.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/in.benzene_water /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/log.27Oct21.benzene_water.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/in.tf /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/log.1Dec2022.au-aq-tf.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/log.1Dec2022.au-aq-ffield.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/settings.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/in.ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/log.1Dec2022.au-aq-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/log.1Dec2022.au-aq-tf.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/au-aq/data.au-aq /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conq.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-etypes.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conq.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.ramp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-ramp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/settings.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/data.graph-il /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conq2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-thermo.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.conq2 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conq2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.conp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-conp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.conq /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-ffield.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.thermo /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-thermo.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-etypes.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/in.etypes /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/graph-il/log.1Dec2022.graph-il-ramp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew3dc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew3dc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew2d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ew3dc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-ewald-ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/settings.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/data.au-vac /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ffield.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ffield.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-pppm-ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ew3dc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-ewald-ew2d /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-pppm-ew3dc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-ewald-ew3dc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/piston/log.1Dec2022.piston.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/piston/data.piston /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/piston/data.piston.final /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/piston/log.1Dec2022.piston.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/piston/in.piston /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-ewald-ew3dc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-ewald-ew2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.ewald-ew3dc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-cg.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.pppm-ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/settings.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.cg /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-ewald-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/plate_cap.py /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.ewald-ew2d /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.pppm-ew3dc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/eval.py /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/in.ewald-ffield /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/data.au-elyt /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-pppm-ffield.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/madelung/log.1Dec2022.madelung-pppm-ew3dc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/electrode/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/in.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.bpti.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/data.peptide /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.peptide.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.bpti.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/data.bpti /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.peptide.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/filter_corotate/in.bpti /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/hBN_AB_stack_2L_noH_equi_300K.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/hBN_AA_prime_stack_2L_noH.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.1 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/manifold/diffusion/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rann/in.rann /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rann/log.22Jun21.rann.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rann/log.22Jun21.rann.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/log.27Nov18.methanol.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/methanol.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/lammps_nb_MET-MET.table /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/log.27Nov18.methanol.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/bocs/in.methanol /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/quip/data_gap 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.cw.p2nfft /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.p2nfft /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.p3m.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.cw.p3m.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.cw.ewald.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.hsph.fmm.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/in.scafacos.cw.p3m /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.cw.fmm.g++.4 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/scafacos/log.27Nov18.scafacos.fmm.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/Auger-Adamantane/data.adamantane_ionized /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/Auger-Adamantane/data.adamantane /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/Auger-Adamantane/in.adamantane_ionized.nve /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/Auger-Adamantane/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H/data.h_atom.bohr /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H/in.h_atom.spe.ang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H/in.h_atom.spe.bohr /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H/data.h_atom.ang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/H/README 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/fixed-core/CH4/in.CH4fc.ang /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/fixed-core/CH4/data.CH4fc.bohr /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/fixed-core/CH4/in.CH4fc.bohr /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/fixed-core/CH4/in.CH4fc.spe.bohr /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/fixed-core/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/eff/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/in.edip-Si /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/SiC.edip /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/log.4May2017.g++.edip-Si.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/log.4May2017.g++.edip-Si-multi.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/log.4May2017.g++.edip-Si.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/in.edip-Si-multi /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/in.edip-SiC /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/log.4May2017.g++.edip-SiC.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/log.4May2017.g++.edip-SiC.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/Si.edip /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/data.SiC /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/edip/log.4May2017.g++.edip-Si-multi.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/in.setup /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.setup.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.crystal.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.pinning.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.pinning.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/in.pinning /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/in.crystal /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.setup.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.crystal.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tally/log.12Jun17.pe.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tally/in.pe /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tally/log.12Jun17.stress.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tally/log.12Jun17.pe.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tally/data.spce /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tally/in.stress /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tally/log.12Jun17.force.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tally/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tally/in.force /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tally/log.12Jun17.force.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/tally/log.12Jun17.stress.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pafi/in.pafi /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pafi/log.15Apr20.pafi.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pafi/pafipath.4.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pafi/log.15Apr20.pafi.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/pafi/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in3d.ellipsoid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in2d.ellipsoid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/in3d.ellipsoid /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/in2d.ellipsoid /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in2d.ellipsoid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in3d.ellipsoid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/in2d.velocity /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/log.11May2021.in2d_velocity.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/log.11May2021.in2d_velocity.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/in2d.point /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/log.11May2021.in2d.point.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/in3d.point /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/log.11May2021.in3d.point.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/log.11May2021.in2d.point.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/point/log.11May2021.in3d.point.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in3d.ideal_apb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in3d.ideal_apb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in2d.apb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/in3d.ideal_abp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/in2d.abp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in2d.apb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/in2d.sphere /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/in3d.sphere /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in3d.sphere.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in3d.sphere.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in2d.sphere.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in2d.sphere.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc_relax.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.single_atom.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.dc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.fcc_relax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.dc_relax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.bcc_relax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc_relax.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.energy_conservation.meam.sw.g++.4 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/<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.energy_conservation.meam.sw.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.hcp_relax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.hcp_relax.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.bcc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.beta.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.single_atom.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.beta.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha_relaxation.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.energy_conservation.meam.sw.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.hexagonal.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.fcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.single_atom.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.fcc /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.fcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.omega /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.hexagonal.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.alpha /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha_relaxation.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.single_atom /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.omega.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.energy_conservation.meam.sw.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.omega.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.beta /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.hexagonal /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/aluminum_strip_pull/log.9Oct20.aluminum_strip_pull.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/aluminum_strip_pull/log.9Oct20.aluminum_strip_pull.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/rubber_rings_3d/in.rubber_rings_3d /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/rubber_rings_3d/log.9Oct20.rubber_rings_3d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/rubber_rings_3d/log.9Oct20.rubber_rings_3d.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/rubber_rings_3d/washer_hex_adjusted.data /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/funnel_flow/log.9Oct20.funnel_flow.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/funnel_flow/in.funnel_flow /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/funnel_flow/boundary.stl /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/funnel_flow/log.9Oct20.funnel_flow.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/fluid_structure_interaction/log.9Oct20.fluid_structure_interaction.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/fluid_structure_interaction/log.9Oct20.fluid_structure_interaction.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/log.9Oct20.rubber_strip_pull.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/plot.gpl /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/log.9Oct20.rubber_strip_pull.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/in.rubber_strip_pull /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/i-pi_positions.xyz /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/in.graphene /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/data.graphene /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/i-pi_input.xml /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/ipi/C.opt.tersoff /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/addtorque/log.9Nov16.addtorque.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/addtorque/log.9Nov16.addtorque.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/addtorque/in.addtorque /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qtb/in.alpha_quartz_qtb /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qtb/log.15Jun20.alpha_quartz_qtb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qtb/log.15Jun20.alpha_quartz_qtb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qtb/log.30Nov23.methane_qtb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qtb/in.methane_qtb /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qtb/log.30Nov23.methane_qtb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qtb/ffield.reax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qbmsst/in.methane_qbmsst /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qbmsst/log.30Nov23.methane_qbmsst.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qbmsst/log.30Nov23.methane_qbmsst.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qbmsst/methane_qtb.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/methane_qbmsst/ffield.reax /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/potential_SiO2.TPF /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/log.09Feb21.alpha_quartz_qbmsst.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/log.09Feb21.alpha_quartz_qbmsst.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/alpha_quartz_potential.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/alpha_quartz_qtb.mod /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/qtb/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cauchy/in.cauchystat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cauchy/log.2Jun2020.cauchystat.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/cauchy/README /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/basal/in.basal /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/basal/almg.liu /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/heatconduction/sph_heat_conduction_3d.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/heatconduction/sph_heat_conduction_2d.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/heatconduction/compare_analytic.gpl /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/cavity_flow/cavity_flow.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/shock_tube/compare_exact.gpl /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/shock_tube/shock2d.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/shock_tube/shock3d.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/shock_tube/exact_solution.dat /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/water_collapse/data.initial /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/water_collapse/water_collapse.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/PACKAGES/sph/README /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.8.1 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.8.3 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/in.prd /<>/debian/lammps-examples/usr/share/lammps/examples/prd/log.5Oct16.prd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.4.3 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.8.0 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.8.2 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/log.5Oct16.prd.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/README /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.4.1 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/Si.sw /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.4.0 /<>/debian/lammps-examples/usr/share/lammps/examples/prd/screen.5Oct16.prd.g++.4.2 /<>/debian/lammps-examples/usr/share/lammps/examples/peri/log.27Nov18.peri.lps.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/peri/log.27Nov18.peri.eps.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/peri/in.peri.ves /<>/debian/lammps-examples/usr/share/lammps/examples/peri/log.27Nov18.peri.ves.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/peri/in.peri-pmb /<>/debian/lammps-examples/usr/share/lammps/examples/peri/log.27Nov18.peri.pmb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/peri/log.27Nov18.peri.eps.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/peri/log.27Nov18.peri.lps.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/peri/log.27Nov18.peri.pmb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/peri/in.peri.lps /<>/debian/lammps-examples/usr/share/lammps/examples/peri/in.peri.pmb /<>/debian/lammps-examples/usr/share/lammps/examples/peri/in.peri.eps /<>/debian/lammps-examples/usr/share/lammps/examples/peri/log.27Nov18.peri.ves.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/nemd/in.nemd /<>/debian/lammps-examples/usr/share/lammps/examples/nemd/log.27Nov18.nemd.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/nemd/log.27Nov18.nemd.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop1.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/initial.hop1 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop1.end.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/final.hop2 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.sivac.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop2.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop1.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/in.neb.hop2 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/final.hop1 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.hop1.end.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/initial.hop1.end /<>/debian/lammps-examples/usr/share/lammps/examples/neb/initial.sivac /<>/debian/lammps-examples/usr/share/lammps/examples/neb/README /<>/debian/lammps-examples/usr/share/lammps/examples/neb/log.14Jan23.neb.sivac.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/initial.hop2 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/final.sivac /<>/debian/lammps-examples/usr/share/lammps/examples/neb/Si.sw /<>/debian/lammps-examples/usr/share/lammps/examples/neb/in.neb.hop1.end /<>/debian/lammps-examples/usr/share/lammps/examples/neb/in.neb.hop1 /<>/debian/lammps-examples/usr/share/lammps/examples/neb/in.neb.sivac /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm-property.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-pm.melt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-ex.melt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-pm-query.melt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.lammps.melt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-sm.melt.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm-property.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.lammps.melt.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-sm.melt.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm.melt.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-pm-property /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.lammps.melt.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-query.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/plugin/kimplugin.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/kim/plugin/CMakeLists.txt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/plugin/README.txt /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-query /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm.melt.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm-query.melt.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-pm-query.melt.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-ex.melt.clang.1 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/log.10Feb21.in.kim-ex.melt.clang.4 /<>/debian/lammps-examples/usr/share/lammps/examples/kim/in.kim-sm.melt /<>/debian/lammps-examples/usr/share/lammps/examples/indent/log.27Nov18.indent.min.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/indent/log.27Nov18.indent.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/indent/in.indent /<>/debian/lammps-examples/usr/share/lammps/examples/indent/log.27Nov18.indent.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/indent/in.indent.min /<>/debian/lammps-examples/usr/share/lammps/examples/indent/log.27Nov18.indent.min.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/log.13Oct16.einstein.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/profile.13Oct16.mp.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/profile.13Oct16.nemd.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/in.einstein.2d /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/log.13Oct16.wall.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/in.gk.2d /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/in.wall.2d /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/in.cos.1000SPCE /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/in.nemd.2d /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/log.30Apr20.cos.1000SPCE.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/profile.13Oct16.wall.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/profile.13Oct16.gk.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/log.13Oct16.nemd.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/README /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/profile.13Oct16.einstein.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/in.mp.2d /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/log.13Oct16.mp.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/data.cos.1000SPCE /<>/debian/lammps-examples/usr/share/lammps/examples/VISCOSITY/log.13Oct16.gk.2d.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/steinhardt/log.13Sept18.bcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/steinhardt/in.fcc /<>/debian/lammps-examples/usr/share/lammps/examples/steinhardt/log.13Sept18.bcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/steinhardt/log.13Sept18.icos.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/steinhardt/log.13Sept18.icos.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/steinhardt/log.13Sept18.fcc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/steinhardt/in.icos /<>/debian/lammps-examples/usr/share/lammps/examples/steinhardt/log.13Sept18.fcc.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/steinhardt/in.bcc /<>/debian/lammps-examples/usr/share/lammps/examples/bpm/pour/in.bpm.pour /<>/debian/lammps-examples/usr/share/lammps/examples/bpm/pour/log.4May2022.pour.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/bpm/pour/rect.mol /<>/debian/lammps-examples/usr/share/lammps/examples/bpm/impact/in.bpm.impact.spring /<>/debian/lammps-examples/usr/share/lammps/examples/bpm/impact/brokenDump /<>/debian/lammps-examples/usr/share/lammps/examples/bpm/impact/log.17Feb2022.impact.spring.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/bpm/impact/in.bpm.impact.rotational /<>/debian/lammps-examples/usr/share/lammps/examples/bpm/impact/log.4May2022.impact.rotational.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/srd/log.27Nov18.srd.mixture.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/srd/in.srd.pure /<>/debian/lammps-examples/usr/share/lammps/examples/srd/log.27Nov18.srd.pure.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/srd/log.27Nov18.srd.pure.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/srd/log.27Nov18.srd.mixture.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/srd/in.srd.mixture /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/log.09Jan20.rdf.first.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/in.read_dump /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/in.rdf.rerun /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/log.09Jan20.rdf.rerun.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/log.09Jan20.read_dump.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/rdf.09Jan20.rerun.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/in.first /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/log.09Jan20.rerun.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/rdf.09Jan20.first.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/README /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/in.rdf.first /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/in.rerun /<>/debian/lammps-examples/usr/share/lammps/examples/rerun/log.09Jan20.first.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/eim/log.27Nov18.eim.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/eim/data.eim /<>/debian/lammps-examples/usr/share/lammps/examples/eim/in.eim /<>/debian/lammps-examples/usr/share/lammps/examples/eim/log.27Nov18.eim.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/msst/log.08Feb21.msst.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/msst/log.08Feb21.msst.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/msst/in.msst /<>/debian/lammps-examples/usr/share/lammps/examples/atm/in.atm /<>/debian/lammps-examples/usr/share/lammps/examples/atm/log.27Nov18.atm.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/atm/log.27Nov18.atm.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/in.marble_race /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/log.11May22.marble_race.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/log.11May22.marble_race.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/in.mesh_box /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/log.11May22.mesh_box.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/log.11May22.mesh_box.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mesh/open_box.stl /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.hybrid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.mol-restart-mix.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.template-mix.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.tmpl-data-mix.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/template/in.hybrid /<>/debian/lammps-examples/usr/share/lammps/examples/template/co2.mol /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.hybrid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.mol-data-mix.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/template/in.molecular-mix /<>/debian/lammps-examples/usr/share/lammps/examples/template/in.tmpl-restart-mix /<>/debian/lammps-examples/usr/share/lammps/examples/template/in.tmpl-data-mix /<>/debian/lammps-examples/usr/share/lammps/examples/template/in.template-mix /<>/debian/lammps-examples/usr/share/lammps/examples/template/h2o-co2.data /<>/debian/lammps-examples/usr/share/lammps/examples/template/in.mol-restart-mix /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.template-mix.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.tmpl-data-mix.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/template/template-mix.data /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.tmpl-restart-mix.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.molecular-mix.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/template/cyclohexane.mol /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.molecular-mix.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.mol-restart-mix.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/template/molecular-mix.data /<>/debian/lammps-examples/usr/share/lammps/examples/template/in.mol-data-mix /<>/debian/lammps-examples/usr/share/lammps/examples/template/h2o.mol /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.tmpl-restart-mix.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/template/log.22Oct20.mol-data-mix.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/log.27Nov18.nb3b.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/Table_NP.dat /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/README.nb3b.screened /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/log.27Nov18.nb3b.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/in.nb3b.screened /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/log.30Oct23.nb3b.screened.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/data.NaPO3 /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/data.nb3b /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/MOH.nb3b.harmonic /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/in.nb3b /<>/debian/lammps-examples/usr/share/lammps/examples/nb3b/log.30Oct23.nb3b.screened.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/log.29Mar2019.micelle.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/log.29Mar2019.micelle-rigid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/log.29Mar2019.micelle-rigid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/in.micelle-rigid /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/data.micelle /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/def.micelle /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/log.29Mar2019.micelle.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/micelle/in.micelle /<>/debian/lammps-examples/usr/share/lammps/examples/crack/log.27Nov18.crack.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/crack/log.27Nov18.crack.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/crack/in.crack /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.diffusive.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.diffusive.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.maxwell.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.specular.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.ccl.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.23Feb23.wall.lepton.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.23Feb23.wall.table.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.table /<>/debian/lammps-examples/usr/share/lammps/examples/wall/walltab.dat /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.lepton /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.diffusive /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.23Feb23.wall.table.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.maxwell.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.maxwell /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.specular.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.9Jan20.wall.ccl.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/wall/wall.inc /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.ccl /<>/debian/lammps-examples/usr/share/lammps/examples/wall/in.wall.specular /<>/debian/lammps-examples/usr/share/lammps/examples/wall/log.23Feb23.wall.lepton.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/cmap/gagg.data /<>/debian/lammps-examples/usr/share/lammps/examples/cmap/in.cmap /<>/debian/lammps-examples/usr/share/lammps/examples/cmap/log.27Nov18.cmap.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/cmap/log.27Nov18.cmap.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/cmap/charmm22.cmap /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Cu.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.c-HfO2 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb3.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.m-HfO2 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb.Cu /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb3.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb.Si /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Si.elastic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Cu.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.t-HfO2 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb.HfO2 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.CuaS /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Si.elastic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb.Cu2O.elastic /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb3 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.HfO2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Si.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.Cu2O /<>/debian/lammps-examples/usr/share/lammps/examples/comb/README /<>/debian/lammps-examples/usr/share/lammps/examples/comb/elastic.f90 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.Si.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/data.comb3-OHCCu /<>/debian/lammps-examples/usr/share/lammps/examples/comb/log.27Nov18.comb.HfO2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/lib.comb3 /<>/debian/lammps-examples/usr/share/lammps/examples/comb/in.comb.Si.elastic /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/in.vashishta.table.inp /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/in.vashishta.inp /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/data.quartz /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.inp.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.sio2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/in.vashishta.sio2 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/in.vashishta.table.sio2 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.inp.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.sio2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.18May23.ttm.mod.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/in.ttm /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.18May23.ttm.mod.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.26Aug21.ttm.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/in.ttm.mod /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/in.ttm.grid /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.1Dec22.ttm.grid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.1Dec22.ttm.grid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/FeVoter-ChenRecheck.fs /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/log.26Aug21.ttm.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/ttm/Si.ttm_mod /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/log.15Oct19.gjf.vfull.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/log.15Oct19.gjf.vhalf.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/log.15Oct19.gjf.vfull.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/in.gjf.vfull /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/in.gjf.vhalf /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/ff-argon.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/log.15Oct19.gjf.vhalf.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/gjf/argon.lmp /<>/debian/lammps-examples/usr/share/lammps/examples/README /<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.flatwall.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/granular/in.pour.drum /<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.flatwall.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/granular/in.pour.heat /<>/debian/lammps-examples/usr/share/lammps/examples/granular/in.pour.flatwall /<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.drum.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.heat.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.heat.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/granular/log.28Mar23.pour.drum.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/ellipse/in.ellipse.gayberne /<>/debian/lammps-examples/usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.resquared.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.resquared.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/ellipse/in.ellipse.resquared /<>/debian/lammps-examples/usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/obstacle/in.obstacle /<>/debian/lammps-examples/usr/share/lammps/examples/obstacle/log.27Nov18.obstacle.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/obstacle/log.27Nov18.obstacle.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/in.spce /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/spce-adf.dat.ref /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/data.spce /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/log.27Nov18.spce.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/log.27Nov18.spce.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/rdf-adf/spce-rdf.dat.ref /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/log.15May22.heatflux.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/profile.15May22.langevin.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/in.langevin /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/profile.15May22.heat.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/profile.15May22.mp.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/in.heatflux /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/in.heat /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/log.15May22.langevin.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/log.15May22.ehex.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/profile.15May22.heatflux.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/in.mp /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/in.ehex /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/README /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/log.15May22.heat.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/log.15May22.mp.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/KAPPA/profile.15May22.ehex.g++.8 /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/Makefile.common /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/LAMMPSInterfaceCXX.cmake /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/.clang-format /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/pair_morse2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/dihedral_zero2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/helloplugin.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/pair_zero2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/pair_morse2_omp.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/improper_zero2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/nve2plugin.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/pair_morse2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/morse2plugin.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/dihedral_zero2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/CMakeLists.txt /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/bond_zero2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/fix_nve2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/fix_nve2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/improper_zero2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/pair_morse2_omp.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/Makefile.macos /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/Makefile /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/bond_zero2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/Makefile.serial /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/pair_zero2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/angle_zero2.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/angle_zero2.h /<>/debian/lammps-examples/usr/share/lammps/examples/plugins/zero2plugin.cpp /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nve-small.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nve-small.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.atom.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nvt-small.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-small.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-nvt-small /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-nve-small /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/molecule.dimer /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-small /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-small.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.molecule /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nvt-small.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/log.27Nov18.deposit.atom.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.atom /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/in.deposit.molecule.shake /<>/debian/lammps-examples/usr/share/lammps/examples/deposit/molecule.dimer.shake /<>/debian/lammps-examples/usr/share/lammps/examples/colloid/in.colloid /<>/debian/lammps-examples/usr/share/lammps/examples/colloid/log.27Nov18.colloid.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/colloid/log.27Nov18.colloid.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.quadratic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/mliap_unified_lj_Ar.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.snap.Ta06A /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/compute.quadratic.gg1.dat /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.snap.WBe.PRB2019 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.WBe.PRB2019.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.04Dec20.mliap.pytorch.Ta06A.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.03Jul20.mliap.snap.compute.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.chem.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.pytorch.Ta06A /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.snap.quadratic /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/relu1hidden.mliap.pytorch.model.pt /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.03Jul20.mliap.quadratic.compute.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/Ni_Mo.data /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.Ta06A.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/compute.snap.gg0.dat /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/mliap_pytorch_Ta06A_kokkos.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.snap.chem /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.so3.nn.Si /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.chem.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.23Sep22.mliap.unified.lj.Ar.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.WBe.PRB2019.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.snap.compute /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.Ta06A.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.nn.Cu /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/compute.snap.gg1.dat /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.quadratic.compute /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.03Jul20.mliap.snap.compute.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/README /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/convert_mliap_Ta06A.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/mliap_pytorch_Ta06A.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.unified.lj.Ar /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.nn.Ta06A /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/deploy_script.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/write_unified.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/in.run /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/mliap_jax.pkl /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/mliap_unified_jax_kokkos.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/mliap_unified_jax_Ar.pkl /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/jax/mliap_unified_jax.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.23Sep22.mliap.unified.lj.Ar.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/relu1hidden.mliap.pytorch /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.04Dec20.mliap.pytorch.Ta06A.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/mliap_numpy_Ta06A.py /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.pytorch.relu1hidden /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/in.mliap.so3.Ni_Mo /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/compute.mliap.descriptor /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.03Jul20.mliap.quadratic.compute.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.quadratic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/mliap/compute.quadratic.gg0.dat /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/in.granregion.box /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/in.granregion.mixer /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.box.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.funnel.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.mixer.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.box.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.funnel.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/log.16Mar23.granregion.mixer.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/granregion/in.granregion.funnel /<>/debian/lammps-examples/usr/share/lammps/examples/MC-LOOP/log.13Oct16.mc.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/MC-LOOP/in.mc /<>/debian/lammps-examples/usr/share/lammps/examples/MC-LOOP/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/VOH/log.30Nov23.VOH.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/VOH/ffield.reax.V_O_C_H /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/VOH/data.VOH /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/VOH/in.VOH /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/VOH/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/VOH/log.30Nov23.VOH.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/VOH/param.qeq /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/VOH/lmp_control /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/control.reax_c.rdx /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/in.water.qeq /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-qeq-field.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/in.water.acks2.field /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/in.water.qeq.field /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-qeq.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-qeq-field.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2-field.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-qeq.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/in.water.acks2 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/qeq_ff.water /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/data.water /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2-field.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/in.RDX /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/ffield.reax.rdx /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/log.30Nov23.RDX.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/data.RDX /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/log.30Nov23.RDX.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/param.qeq /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/RDX/lmp_control /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FeOH3/log.30Nov23.FeOH3.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FeOH3/in.FeOH3 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FeOH3/data.FeOH3 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FeOH3/ffield.reax.Fe_O_C_H /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FeOH3/log.30Nov23.FeOH3.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FeOH3/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FeOH3/param.qeq /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FeOH3/lmp_control /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/log.30Nov23.ZnOH2.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/log.30Nov23.ZnOH2.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/ffield.reax.ZnOH /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/in.ZnOH2 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/data.ZnOH2 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/param.qeq /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ZnOH2/lmp_control /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/in.reaxff.rdx /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx-shielded.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ci-reaxFF/in.ci-reax.CH /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ci-reaxFF/control /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ci-reaxFF/ffield.ci-reax.CH /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ci-reaxFF/log.30Nov23.ci-reax.CH.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ci-reaxFF/ci-reaxFF_ZBL.dat /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ci-reaxFF/CH4.dat /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ci-reaxFF/log.30Nov23.ci-reax.CH.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/data.tatb /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/data.AuO /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/log.30Nov23.AuO.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/in.AuO /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/ffield.reax.AuO /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/log.30Nov23.AuO.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/param.qeq /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AuO/lmp_control /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/control.reax_c.tatb /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/in.reaxff.tatb /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FC/ffield.reax.FC /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FC/in.FC /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FC/log.30Nov23.FC.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FC/data.FC /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FC/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/FC/log.30Nov23.FC.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/CHO/ffield.reax.cho /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/CHO/log.30Nov23.CHO.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/CHO/in.CHO /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/CHO/data.CHO /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/CHO/log.30Nov23.CHO.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/CHO/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/CHO/param.qeq /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/CHO/lmp_control /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/ffield.reax.hns /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/data.hns-equil /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/log.30Nov23.reaxff.hns.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/in.reaxff.hns /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/README.txt /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/HNS/log.30Nov23.reaxff.hns.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb-shielded.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AB/log.30Nov23.AB.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AB/ffield.reax.AB /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AB/in.AB /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AB/data.AB /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AB/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AB/param.qeq /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AB/lmp_control /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/AB/log.30Nov23.AB.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/data.rdx /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb-shielded.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/README /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/in.reaxff.rdx-shielded /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx-shielded.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/in.reaxff.tatb-shielded /<>/debian/lammps-examples/usr/share/lammps/examples/reaxff/ffield.reax /<>/debian/lammps-examples/usr/share/lammps/examples/melt/log.8Apr21.melt.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/melt/in.melt /<>/debian/lammps-examples/usr/share/lammps/examples/melt/log.8Apr21.melt.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.03Jul20.snap.compute.quadratic.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.03Jul20.snap.compute.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.W.2940.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.scale.Ni_Zuo_JCPA2020 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun22.grid.tri.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.Mo_Chen /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.hybrid.WSNAP.HePair.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.hybrid.WSNAP.HePair /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.hybrid.WSNAP.HePair.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.compute.quadratic /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.InP.JCPA2020 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.Ta06A.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.WBe.PRB2019.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.grid.snap /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.Mo_Chen.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun22.grid.snap.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.InP.JCPA2020.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun22.grid.tri.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.W.2940 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.C_SNAP /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.compute /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.Ta06A.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/README.md /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.W.2940.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.03Jul20.snap.compute.quadratic.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.30May23.C_SNAP.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.Ta06A /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.InP.JCPA2020.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.03Jul20.snap.compute.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.grid.tri /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.Mo_Chen.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.30May23.C_SNAP.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/in.snap.WBe.PRB2019 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun20.snap.WBe.PRB2019.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/log.15Jun22.grid.snap.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/snap/compute_snap_dgrad.py /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Tspce.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Espce.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/data.lj /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/in.spce.hex /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Elj.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/log.10May16.spce.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Espce.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/log.10May16.spce.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/in.lj.ehex /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Tspce.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/in.spce.ehex /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/data.spce /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Tlj.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/in.lj.hex /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/README /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Tlj.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/out.10May16.Elj.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/log.10May16.lj.ehex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/HEAT/log.10May16.lj.hex.g++.32 /<>/debian/lammps-examples/usr/share/lammps/examples/flow/in.flow.couette /<>/debian/lammps-examples/usr/share/lammps/examples/flow/log.27Nov18.flow.pois.g++.4 /<>/debian/lammps-examples/usr/share/lammps/examples/flow/log.27Nov18.flow.pois.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/flow/in.flow.pois /<>/debian/lammps-examples/usr/share/lammps/examples/flow/log.27Nov18.flow.couette.g++.1 /<>/debian/lammps-examples/usr/share/lammps/examples/flow/log.27Nov18.flow.couette.g++.4 make[1]: Leaving directory '/<>' dh_missing -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build debian/rules override_dh_dwz make[1]: Entering directory '/<>' dh_dwz -Xliblammps.so.0 make[1]: Leaving directory '/<>' dh_strip -a -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build 69b43c631e0e0b8e657dabc5e73a94b61d74c8ee 696515bd4a6d4827415d7dcd235a7b7bb2e0efd8 dh_makeshlibs -a -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_shlibdeps -a -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_installdeb -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_gencontrol -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dpkg-gencontrol: warning: Depends field of package lammps-doc: substitution variable ${sphinxdoc:Depends} used, but is not defined dpkg-gencontrol: warning: package lammps-examples: substitution variable ${perl:Depends} unused, but is defined dpkg-gencontrol: warning: Depends field of package liblammps-dev: substitution variable ${shlibs:Depends} used, but is not defined dpkg-gencontrol: warning: Depends field of package python3-lammps: substitution variable ${shlibs:Depends} used, but is not defined dh_md5sums -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build dh_builddeb -O--sourcedirectory=cmake -O--builddirectory=/<>/lammps-20240207\+dfsg/debian/build INFO: pkgstriptranslations version 154 INFO: pkgstriptranslations version 154 INFO: pkgstriptranslations version 154 pkgstriptranslations: processing lammps (in debian/lammps); do_strip: , oemstrip: pkgstriptranslations: processing lammps-doc (in debian/lammps-doc); do_strip: , oemstrip: pkgstriptranslations: processing liblammps0t64 (in debian/liblammps0t64); do_strip: , oemstrip: pkgmaintainermangler: Not overriding Maintainer for domain lists.ubuntu.com pkgmaintainermangler: Not overriding Maintainer for domain lists.ubuntu.com pkgstripfiles: processing control file: debian/lammps/DEBIAN/control, package lammps, directory debian/lammps Skipping arch: any to arch: all dependency to lammps-data Searching for duplicated docs in dependency liblammps0t64... symlinking changelog.Debian.gz in lammps to file in liblammps0t64 pkgstripfiles: processing control file: debian/liblammps0t64/DEBIAN/control, package liblammps0t64, directory debian/liblammps0t64 pkgstripfiles: Running PNG optimization (using 4 cpus) for package lammps ... INFO: pkgstripfiles: waiting for lock (liblammps0t64) ... pkgstripfiles: No PNG files. dpkg-deb: building package 'lammps' in '../lammps_20240207+dfsg-1.1build2_amd64.deb'. INFO: pkgstriptranslations version 154 pkgstriptranslations: processing lammps-dbgsym (in debian/.debhelper/lammps/dbgsym-root); do_strip: , oemstrip: pkgmaintainermangler: Not overriding Maintainer for domain lists.ubuntu.com pkgstripfiles: processing control file: debian/.debhelper/lammps/dbgsym-root/DEBIAN/control, package lammps-dbgsym, directory debian/.debhelper/lammps/dbgsym-root dpkg-deb: building package 'lammps-dbgsym' in 'debian/.debhelper/scratch-space/build-lammps/lammps-dbgsym_20240207+dfsg-1.1build2_amd64.deb'. Renaming lammps-dbgsym_20240207+dfsg-1.1build2_amd64.deb to lammps-dbgsym_20240207+dfsg-1.1build2_amd64.ddeb INFO: pkgstriptranslations version 154 pkgstriptranslations: processing liblammps-dev (in debian/liblammps-dev); do_strip: , oemstrip: pkgmaintainermangler: Not overriding Maintainer for domain lists.ubuntu.com INFO: pkgstripfiles: waiting for lock (liblammps0t64) ... pkgstripfiles: processing control file: debian/liblammps-dev/DEBIAN/control, package liblammps-dev, directory debian/liblammps-dev Searching for duplicated docs in dependency liblammps0t64... symlinking changelog.Debian.gz in liblammps-dev to file in liblammps0t64 pkgstripfiles: Running PNG optimization (using 4 cpus) for package liblammps-dev ... pkgstripfiles: No PNG files. dpkg-deb: building package 'liblammps-dev' in '../liblammps-dev_20240207+dfsg-1.1build2_amd64.deb'. pkgstripfiles: Running PNG optimization (using 4 cpus) for package liblammps0t64 ... pkgstripfiles: No PNG files. dpkg-deb: building package 'liblammps0t64' in '../liblammps0t64_20240207+dfsg-1.1build2_amd64.deb'. pkgmaintainermangler: Not overriding Maintainer for domain lists.ubuntu.com pkgstripfiles: processing control file: debian/lammps-doc/DEBIAN/control, package lammps-doc, directory debian/lammps-doc INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstriptranslations version 154 pkgstriptranslations: processing liblammps0t64-dbgsym (in debian/.debhelper/liblammps0t64/dbgsym-root); do_strip: , oemstrip: pkgmaintainermangler: Not overriding Maintainer for domain lists.ubuntu.com pkgstripfiles: processing control file: debian/.debhelper/liblammps0t64/dbgsym-root/DEBIAN/control, package liblammps0t64-dbgsym, directory debian/.debhelper/liblammps0t64/dbgsym-root dpkg-deb: building package 'liblammps0t64-dbgsym' in 'debian/.debhelper/scratch-space/build-liblammps0t64/liblammps0t64-dbgsym_20240207+dfsg-1.1build2_amd64.deb'. INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... INFO: pkgstripfiles: waiting for lock (lammps-doc) ... Renaming liblammps0t64-dbgsym_20240207+dfsg-1.1build2_amd64.deb to liblammps0t64-dbgsym_20240207+dfsg-1.1build2_amd64.ddeb INFO: pkgstriptranslations version 154 pkgstriptranslations: processing python3-lammps (in debian/python3-lammps); do_strip: , oemstrip: pkgmaintainermangler: Not overriding Maintainer for domain lists.ubuntu.com INFO: pkgstripfiles: waiting for lock (lammps-doc) ... pkgstripfiles: processing control file: debian/python3-lammps/DEBIAN/control, package python3-lammps, directory debian/python3-lammps Searching for duplicated docs in dependency liblammps-dev... symlinking changelog.Debian.gz in python3-lammps to file in liblammps0t64 pkgstripfiles: Running PNG optimization (using 4 cpus) for package python3-lammps ... pkgstripfiles: No PNG files. dpkg-deb: building package 'python3-lammps' in '../python3-lammps_20240207+dfsg-1.1build2_amd64.deb'. pkgstripfiles: Disabled PNG optimization for -doc package lammps-doc (to save build time) dpkg-deb: building package 'lammps-doc' in '../lammps-doc_20240207+dfsg-1.1build2_all.deb'. INFO: pkgstriptranslations version 154 pkgstriptranslations: processing lammps-data (in debian/lammps-data); do_strip: , oemstrip: pkgmaintainermangler: Not overriding Maintainer for domain lists.ubuntu.com pkgstripfiles: processing control file: debian/lammps-data/DEBIAN/control, package lammps-data, directory debian/lammps-data pkgstripfiles: Running PNG optimization (using 4 cpus) for package lammps-data ... pkgstripfiles: No PNG files. dpkg-deb: building package 'lammps-data' in '../lammps-data_20240207+dfsg-1.1build2_all.deb'. INFO: pkgstriptranslations version 154 pkgstriptranslations: processing lammps-examples (in debian/lammps-examples); do_strip: , oemstrip: pkgmaintainermangler: Not overriding Maintainer for domain lists.ubuntu.com pkgstripfiles: processing control file: debian/lammps-examples/DEBIAN/control, package lammps-examples, directory debian/lammps-examples pkgstripfiles: Running PNG optimization (using 4 cpus) for package lammps-examples ... xargs: warning: options --max-lines and --replace/-I/-i are mutually exclusive, ignoring previous --max-lines value oo pkgstripfiles: PNG optimization (2/0) for package lammps-examples took 13 s dpkg-deb: building package 'lammps-examples' in '../lammps-examples_20240207+dfsg-1.1build2_all.deb'. dpkg-genbuildinfo --build=binary -O../lammps_20240207+dfsg-1.1build2_amd64.buildinfo dpkg-genchanges --build=binary -mLaunchpad Build Daemon -O../lammps_20240207+dfsg-1.1build2_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) -------------------------------------------------------------------------------- Build finished at 2024-03-16T06:49:48Z Finished -------- I: Built successfully +------------------------------------------------------------------------------+ | Changes | +------------------------------------------------------------------------------+ lammps_20240207+dfsg-1.1build2_amd64.changes: --------------------------------------------- Format: 1.8 Date: Sat, 16 Mar 2024 06:29:06 +0000 Source: lammps Binary: lammps lammps-data lammps-doc lammps-examples liblammps-dev liblammps0t64 python3-lammps Built-For-Profiles: noudeb Architecture: all amd64 Version: 20240207+dfsg-1.1build2 Distribution: noble-proposed Urgency: medium Maintainer: Launchpad Build Daemon Changed-By: Steve Langasek Description: lammps - Molecular Dynamics Simulator lammps-data - Molecular Dynamics Simulator. 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3.28.3-1build4), coreutils (= 9.4-3ubuntu3), cpp (= 4:13.2.0-7ubuntu1), cpp-13 (= 13.2.0-19ubuntu1), cpp-13-x86-64-linux-gnu (= 13.2.0-19ubuntu1), cpp-x86-64-linux-gnu (= 4:13.2.0-7ubuntu1), dash (= 0.5.12-6ubuntu4), debconf (= 1.5.86), debhelper (= 13.14.1ubuntu5), debianutils (= 5.17), debugedit (= 1:5.0-5), default-jdk (= 2:1.21-75+exp1), default-jdk-headless (= 2:1.21-75+exp1), default-jre (= 2:1.21-75+exp1), default-jre-headless (= 2:1.21-75+exp1), default-libmysqlclient-dev (= 1.1.0), dh-autoreconf (= 20), dh-python (= 6.20231223ubuntu2), dh-strip-nondeterminism (= 1.13.1-1), dictionaries-common (= 1.29.7), diffutils (= 1:3.10-1), docutils-common (= 0.20.1+dfsg-3), doxygen (= 1.9.8+ds-2build3), dpkg (= 1.22.5ubuntu4), dpkg-dev (= 1.22.5ubuntu4), dwz (= 0.15-1build5), emacsen-common (= 3.0.5), file (= 1:5.45-3), findutils (= 4.9.0-5), fontconfig (= 2.15.0-1.1ubuntu1), fontconfig-config (= 2.15.0-1.1ubuntu1), fonts-dejavu-core (= 2.37-8), fonts-dejavu-mono (= 2.37-8), 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1.12-1ubuntu2), hdf5-helpers (= 1.10.10+repack-3.1ubuntu2), hicolor-icon-theme (= 0.17-2), hostname (= 3.23+nmu2ubuntu1), htmldoc (= 1.9.17-1build1), htmldoc-common (= 1.9.17-1build1), humanity-icon-theme (= 0.6.16), hunspell-en-us (= 1:2020.12.07-2), ibverbs-providers (= 50.0-2build1), icu-devtools (= 74.2-1ubuntu1), init-system-helpers (= 1.66ubuntu1), intltool-debian (= 0.35.0+20060710.6), iso-codes (= 4.16.0-1), java-common (= 0.75+exp1), latexmk (= 1:4.83-1), libacl1 (= 2.3.2-1), libaec-dev (= 1.1.2-1), libaec0 (= 1.1.2-1), libamd-comgr2 (= 6.0+git20231212.4510c28+dfsg-3build1), libamdhip64-5 (= 5.2.3-13), libann0 (= 1.1.2+doc-9), libaom-dev (= 3.8.1-1), libaom3 (= 3.8.1-1), libapache-pom-java (= 29-2), libarchive-zip-perl (= 1.68-1), libarchive13t64 (= 3.7.2-1.1ubuntu1), libarmadillo-dev (= 1:12.6.7+dfsg-1build1), libarmadillo12 (= 1:12.6.7+dfsg-1build1), libarpack2-dev (= 3.9.1-1.1build1), libarpack2t64 (= 3.9.1-1.1build1), libasan8 (= 14-20240315-1ubuntu1), libasound2-data (= 1.2.11-1build1), libasound2t64 (= 1.2.11-1build1), libaspell15 (= 0.60.8.1-1), libatk1.0-0t64 (= 2.51.90-3), libatomic1 (= 14-20240315-1ubuntu1), libattr1 (= 1:2.5.2-1), libaudit-common (= 1:3.1.2-2.1), libaudit1 (= 1:3.1.2-2.1), libavahi-client3 (= 0.8-13ubuntu4), libavahi-common-data (= 0.8-13ubuntu4), libavahi-common3 (= 0.8-13ubuntu4), libavcodec-dev (= 7:6.1.1-2ubuntu2), libavcodec60 (= 7:6.1.1-2ubuntu2), libavformat-dev (= 7:6.1.1-2ubuntu2), libavformat60 (= 7:6.1.1-2ubuntu2), libavutil-dev (= 7:6.1.1-2ubuntu2), libavutil58 (= 7:6.1.1-2ubuntu2), libbinutils (= 2.42-3ubuntu1), libblas-dev (= 3.12.0-3), libblas3 (= 3.12.0-3), libblkid1 (= 2.39.3-9ubuntu2), libblosc-dev (= 1.21.5+ds-1), libblosc1 (= 1.21.5+ds-1), libbluray2 (= 1:1.3.4-1), libboost-dev (= 1.83.0.1ubuntu2), libboost1.83-dev (= 1.83.0-2.1ubuntu2), libbrotli-dev (= 1.1.0-2), libbrotli1 (= 1.1.0-2), libbsd0 (= 0.12.1-1), libbz2-1.0 (= 1.0.8-5ubuntu1), libbz2-dev (= 1.0.8-5ubuntu1), libc-bin (= 2.39-0ubuntu6), libc-dev-bin (= 2.39-0ubuntu6), libc6 (= 2.39-0ubuntu6), libc6-dev (= 2.39-0ubuntu6), libcairo-gobject2 (= 1.18.0-1ubuntu1), libcairo2 (= 1.18.0-1ubuntu1), libcap-ng0 (= 0.8.4-2), libcap2 (= 1:2.66-5ubuntu1), libcap2-bin (= 1:2.66-5ubuntu1), libcbor0.10 (= 0.10.2-1.2ubuntu1), libcc1-0 (= 14-20240315-1ubuntu1), libcdt5 (= 2.42.2-8build4), libcfitsio-dev (= 4.3.1-1.1), libcfitsio10t64 (= 4.3.1-1.1), libcgraph6 (= 2.42.2-8build4), libchromaprint1 (= 1.5.1-5), libcjson1 (= 1.7.17-1), libclang-cpp18 (= 1:18.1.0-1ubuntu3), libclang1-15t64 (= 1:15.0.7-14), libclang1-18 (= 1:18.1.0-1ubuntu3), libcodec2-1.2 (= 1.2.0-2), libcom-err2 (= 1.47.0-2.4~exp1ubuntu2), libcommons-logging-java (= 1.3.0-1ubuntu1), libcommons-parent-java (= 56-1), libcrypt-dev (= 1:4.4.36-4), libcrypt1 (= 1:4.4.36-4), libctf-nobfd0 (= 2.42-3ubuntu1), libctf0 (= 2.42-3ubuntu1), libcups2 (= 2.4.7-1ubuntu2), libcurl3-gnutls (= 8.5.0-2ubuntu2), libcurl4-openssl-dev (= 8.5.0-2ubuntu7), libcurl4t64 (= 8.5.0-2ubuntu7), libdatrie1 (= 0.2.13-3), libdav1d-dev (= 1.4.0-1), libdav1d7 (= 1.4.0-1), libdb5.3t64 (= 5.3.28+dfsg2-5build1), libdbus-1-3 (= 1.14.10-4ubuntu2), libde265-0 (= 1.0.15-1build1), libde265-dev (= 1.0.15-1build1), libdebconfclient0 (= 0.271ubuntu2), libdebhelper-perl (= 13.14.1ubuntu5), libdeflate-dev (= 1.19-1), libdeflate0 (= 1.19-1), libdouble-conversion-dev (= 3.3.0-1), libdouble-conversion3 (= 3.3.0-1), libdpkg-perl (= 1.22.5ubuntu4), libdrm-amdgpu1 (= 2.4.120-2), libdrm-common (= 2.4.120-2), libdrm-intel1 (= 2.4.120-2), libdrm-nouveau2 (= 2.4.120-2), libdrm-radeon1 (= 2.4.120-2), libdrm2 (= 2.4.120-2), libdw1t64 (= 0.190-1.1build1), libedit2 (= 3.1-20230828-1), libegl-dev (= 1.7.0-1), libegl-mesa0 (= 24.0.2-1ubuntu8), libegl1 (= 1.7.0-1), libeigen3-dev (= 3.4.0-4), libelf1t64 (= 0.190-1.1build1), libenchant-2-2 (= 2.3.3-2build1), liberror-perl (= 0.17029-2), libevdev2 (= 1.13.1+dfsg-1), libevent-2.1-7 (= 2.1.12-stable-9build1), libevent-core-2.1-7 (= 2.1.12-stable-9build1), libevent-dev (= 2.1.12-stable-9build1), libevent-extra-2.1-7 (= 2.1.12-stable-9build1), libevent-openssl-2.1-7 (= 2.1.12-stable-9build1), libevent-pthreads-2.1-7 (= 2.1.12-stable-9build1), libexpat1 (= 2.6.1-2), libexpat1-dev (= 2.6.1-2), libfabric1 (= 1.17.0-3build1), libffi8 (= 3.4.6-1), libfftw3-bin (= 3.3.10-1ubuntu2), libfftw3-dev (= 3.3.10-1ubuntu2), libfftw3-double3 (= 3.3.10-1ubuntu2), libfftw3-long3 (= 3.3.10-1ubuntu2), libfftw3-quad3 (= 3.3.10-1ubuntu2), libfftw3-single3 (= 3.3.10-1ubuntu2), libfido2-1 (= 1.14.0-1build1), libfile-stripnondeterminism-perl (= 1.13.1-1), libfltk-images1.3 (= 1.3.8-6build1), libfltk1.3 (= 1.3.8-6build1), libfmt9 (= 9.1.0+ds1-2), libfontbox-java (= 1:1.8.16-5), libfontconfig-dev (= 2.15.0-1.1ubuntu1), libfontconfig1 (= 2.15.0-1.1ubuntu1), libfontconfig1-dev (= 2.15.0-1.1ubuntu1), libfontenc1 (= 1:1.1.8-1), libfreetype-dev (= 2.13.2+dfsg-1build1), libfreetype6 (= 2.13.2+dfsg-1build1), libfreexl-dev (= 2.0.0-1build1), libfreexl1 (= 2.0.0-1build1), libfribidi0 (= 1.0.13-3), libfyba-dev (= 4.1.1-11), libfyba0t64 (= 4.1.1-11), libgbm1 (= 24.0.2-1ubuntu8), libgcc-13-dev (= 13.2.0-19ubuntu1), libgcc-s1 (= 14-20240315-1ubuntu1), libgcrypt20 (= 1.10.3-2), libgd3 (= 2.3.3-9ubuntu2), libgdal-dev (= 3.8.4+dfsg-3ubuntu1), libgdal34t64 (= 3.8.4+dfsg-3ubuntu1), libgdbm-compat4t64 (= 1.23-5.1), libgdbm6t64 (= 1.23-5.1), libgdk-pixbuf-2.0-0 (= 2.42.10+dfsg-3ubuntu1), libgdk-pixbuf2.0-common (= 2.42.10+dfsg-3ubuntu1), libgeos-c1t64 (= 3.12.1-3), libgeos-dev (= 3.12.1-3), libgeos3.12.1t64 (= 3.12.1-3), libgeotiff-dev (= 1.7.1-5), libgeotiff5 (= 1.7.1-5), libgfortran-13-dev (= 13.2.0-19ubuntu1), libgfortran5 (= 14-20240315-1ubuntu1), libgif-dev (= 5.2.1-2.5), libgif7 (= 5.2.1-2.5), libgl-dev (= 1.7.0-1), libgl1 (= 1.7.0-1), libgl1-mesa-dev (= 24.0.2-1ubuntu8), libgl1-mesa-dri (= 24.0.2-1ubuntu8), libgl2ps-dev (= 1.4.2+dfsg1-2), libgl2ps1.4 (= 1.4.2+dfsg1-2), libglapi-mesa (= 24.0.2-1ubuntu8), libgles-dev (= 1.7.0-1), libgles1 (= 1.7.0-1), libgles2 (= 1.7.0-1), libglew-dev (= 2.2.0-4), libglew2.2 (= 2.2.0-4), libglib2.0-0t64 (= 2.79.3-3ubuntu5), libglu1-mesa (= 9.0.2-1.1), libglu1-mesa-dev (= 9.0.2-1.1), libglvnd-core-dev (= 1.7.0-1), libglvnd-dev (= 1.7.0-1), libglvnd0 (= 1.7.0-1), libglx-dev (= 1.7.0-1), libglx-mesa0 (= 24.0.2-1ubuntu8), libglx0 (= 1.7.0-1), libgme0 (= 0.6.3-7), libgmp10 (= 2:6.3.0+dfsg-2ubuntu4), libgnutls30t64 (= 3.8.3-1.1ubuntu2), libgomp1 (= 14-20240315-1ubuntu1), libgpg-error0 (= 1.47-3build1), libgprofng0 (= 2.42-3ubuntu1), libgraphite2-3 (= 1.3.14-2), libgsm1 (= 1.0.22-1), libgssapi-krb5-2 (= 1.20.1-5.1build3), libgstreamer-plugins-base1.0-0 (= 1.24.0-1), libgstreamer1.0-0 (= 1.24.0-1), libgtk2.0-0t64 (= 2.24.33-3.1ubuntu1), libgtk2.0-common (= 2.24.33-3.1ubuntu1), libgts-0.7-5t64 (= 0.7.6+darcs121130-5.1ubuntu1), libgudev-1.0-0 (= 1:238-3ubuntu2), libgvc6 (= 2.42.2-8build4), libgvpr2 (= 2.42.2-8build4), libharfbuzz0b (= 8.3.0-2build1), libhdf4-0-alt (= 4.2.16-4), libhdf4-alt-dev (= 4.2.16-4), libhdf5-103-1t64 (= 1.10.10+repack-3.1ubuntu2), libhdf5-cpp-103-1t64 (= 1.10.10+repack-3.1ubuntu2), libhdf5-dev (= 1.10.10+repack-3.1ubuntu2), libhdf5-fortran-102t64 (= 1.10.10+repack-3.1ubuntu2), libhdf5-hl-100t64 (= 1.10.10+repack-3.1ubuntu2), libhdf5-hl-cpp-100t64 (= 1.10.10+repack-3.1ubuntu2), libhdf5-hl-fortran-100t64 (= 1.10.10+repack-3.1ubuntu2), libhdf5-mpi-dev (= 1.10.10+repack-3.1ubuntu2), libhdf5-openmpi-103-1t64 (= 1.10.10+repack-3.1ubuntu2), libhdf5-openmpi-cpp-103-1t64 (= 1.10.10+repack-3.1ubuntu2), libhdf5-openmpi-dev (= 1.10.10+repack-3.1ubuntu2), libhdf5-openmpi-fortran-102t64 (= 1.10.10+repack-3.1ubuntu2), libhdf5-openmpi-hl-100t64 (= 1.10.10+repack-3.1ubuntu2), libhdf5-openmpi-hl-cpp-100t64 (= 1.10.10+repack-3.1ubuntu2), libhdf5-openmpi-hl-fortran-100t64 (= 1.10.10+repack-3.1ubuntu2), libheif-dev (= 1.17.6-1ubuntu2), libheif-plugin-dav1d (= 1.17.6-1ubuntu2), libheif-plugin-libde265 (= 1.17.6-1ubuntu2), libheif1 (= 1.17.6-1ubuntu2), libhogweed6t64 (= 3.9.1-2.2), libhsa-runtime64-1 (= 5.7.1-1build1), libhsakmt1 (= 5.7.0-1), libhunspell-1.7-0 (= 1.7.2+really1.7.2-10build1), libhwasan0 (= 14-20240315-1ubuntu1), libhwloc-dev (= 2.10.0-1), libhwloc-plugins (= 2.10.0-1), libhwloc15 (= 2.10.0-1), libhwy1t64 (= 1.0.7-8.1), libhyphen0 (= 2.8.8-7build2), libibverbs-dev (= 50.0-2build1), libibverbs1 (= 50.0-2build1), libice-dev (= 2:1.0.10-1build2), libice6 (= 2:1.0.10-1build2), libicu-dev (= 74.2-1ubuntu1), libicu74 (= 74.2-1ubuntu1), libidn2-0 (= 2.3.7-2), libinput-bin (= 1.25.0-1build1), libinput10 (= 1.25.0-1build1), libisl23 (= 0.26-3), libitm1 (= 14-20240315-1ubuntu1), libjansson4 (= 2.14-2), libjbig-dev (= 2.1-6.1ubuntu1), libjbig0 (= 2.1-6.1ubuntu1), libjpeg-dev (= 8c-2ubuntu11), libjpeg-turbo8 (= 2.1.5-2ubuntu1), libjpeg-turbo8-dev (= 2.1.5-2ubuntu1), libjpeg8 (= 8c-2ubuntu11), libjpeg8-dev (= 8c-2ubuntu11), libjs-jquery (= 3.6.1+dfsg+~3.5.14-1), libjs-jquery-ui (= 1.13.2+dfsg-1), libjs-mathjax (= 2.7.9+dfsg-1), libjs-sphinxdoc (= 7.2.6-5), libjs-underscore (= 1.13.4~dfsg+~1.11.4-3), libjson-c-dev (= 0.17-1), libjson-c5 (= 0.17-1), libjson-perl (= 4.10000-1), libjsoncpp-dev (= 1.9.5-6), libjsoncpp25 (= 1.9.5-6), libjxl0.7 (= 0.7.0-10.2ubuntu3), libk5crypto3 (= 1.20.1-5.1build3), libkeyutils1 (= 1.6.3-3), libkim-api-dev (= 2.3.0-1), libkim-api2 (= 2.3.0-1), libkml-dev (= 1.3.0-12), libkmlbase1t64 (= 1.3.0-12), libkmlconvenience1t64 (= 1.3.0-12), libkmldom1t64 (= 1.3.0-12), libkmlengine1t64 (= 1.3.0-12), libkmlregionator1t64 (= 1.3.0-12), libkmlxsd1t64 (= 1.3.0-12), libkpathsea6 (= 2023.20230311.66589-9build1), libkrb5-3 (= 1.20.1-5.1build3), libkrb5support0 (= 1.20.1-5.1build3), liblab-gamut1 (= 2.42.2-8build4), liblapack-dev (= 3.12.0-3), liblapack3 (= 3.12.0-3), liblcms2-2 (= 2.14-2), libldap2 (= 2.6.7+dfsg-1~exp1ubuntu6), liblerc-dev (= 4.0.0+ds-4ubuntu1), liblerc4 (= 4.0.0+ds-4ubuntu1), libllvm15t64 (= 1:15.0.7-14), libllvm17t64 (= 1:17.0.6-9), libllvm18 (= 1:18.1.0-1ubuntu3), liblsan0 (= 14-20240315-1ubuntu1), libltdl-dev (= 2.4.7-7), libltdl7 (= 2.4.7-7), liblz4-1 (= 1.9.4-1), liblz4-dev (= 1.9.4-1), liblzma-dev (= 5.6.0-0.2), liblzma5 (= 5.6.0-0.2), libmagic-mgc (= 1:5.45-3), libmagic1t64 (= 1:5.45-3), libmbedcrypto7 (= 2.28.7-1ubuntu1), libmd0 (= 1.1.0-2), libmd4c0 (= 0.4.8-1), libminizip-dev (= 1:1.3.dfsg-3.1ubuntu1), libminizip1t64 (= 1:1.3.dfsg-3.1ubuntu1), libmount1 (= 2.39.3-9ubuntu2), libmp3lame0 (= 3.100-6), libmpc3 (= 1.3.1-1), libmpfr6 (= 4.2.1-1), libmpg123-0 (= 1.32.5-1build1), libmtdev1t64 (= 1.1.6-1.1), libmunge2 (= 0.5.15-3ubuntu1), libmysqlclient-dev (= 8.0.36-2ubuntu1), libmysqlclient21 (= 8.0.36-2ubuntu1), libncursesw6 (= 6.4+20240113-1ubuntu1), libnetcdf-dev (= 1:4.9.2-5ubuntu2), libnetcdf19t64 (= 1:4.9.2-5ubuntu2), libnettle8t64 (= 3.9.1-2.2), libnghttp2-14 (= 1.59.0-1build1), libnl-3-200 (= 3.7.0-0.3), libnl-3-dev (= 3.7.0-0.3), libnl-route-3-200 (= 3.7.0-0.3), libnl-route-3-dev (= 3.7.0-0.3), libnorm1t64 (= 1.5.9+dfsg-3.1), libnspr4 (= 2:4.35-1.1), libnss3 (= 2:3.98-1), libnuma-dev (= 2.0.18-1), libnuma1 (= 2.0.18-1), libodbc2 (= 2.3.12-1build1), libodbccr2 (= 2.3.12-1build1), libodbcinst2 (= 2.3.12-1build1), libogdi-dev (= 4.1.1+ds-3), libogdi4.1 (= 4.1.1+ds-3), libogg-dev (= 1.3.5-3), libogg0 (= 1.3.5-3), libopengl-dev (= 1.7.0-1), libopengl0 (= 1.7.0-1), libopenjp2-7 (= 2.5.0-2build1), libopenjp2-7-dev (= 2.5.0-2build1), libopenmpi-dev (= 4.1.6-6ubuntu1), libopenmpi3t64 (= 4.1.6-6ubuntu1), libopenmpt0t64 (= 0.7.3-1.1build1), libopus0 (= 1.4-1), liborc-0.4-0t64 (= 1:0.4.38-1), libp11-kit0 (= 0.25.3-4ubuntu1), libpam-modules (= 1.5.3-5ubuntu3), libpam-modules-bin (= 1.5.3-5ubuntu3), libpam-runtime (= 1.5.3-5ubuntu3), libpam0g (= 1.5.3-5ubuntu3), libpango-1.0-0 (= 1.52.1+ds-1), libpangocairo-1.0-0 (= 1.52.1+ds-1), libpangoft2-1.0-0 (= 1.52.1+ds-1), libpaper-utils (= 1.1.29), libpaper1 (= 1.1.29), libpathplan4 (= 2.42.2-8build4), libpciaccess0 (= 0.17-3), libpcre2-16-0 (= 10.42-4ubuntu1), libpcre2-32-0 (= 10.42-4ubuntu1), libpcre2-8-0 (= 10.42-4ubuntu1), libpcre2-dev (= 10.42-4ubuntu1), libpcre2-posix3 (= 10.42-4ubuntu1), libpcsclite1 (= 2.0.3-1), libpdfbox-java (= 1:1.8.16-5), libperl5.38t64 (= 5.38.2-3.2), libpgm-5.3-0t64 (= 5.3.128~dfsg-2.1), libpipeline1 (= 1.5.7-1), libpixman-1-0 (= 0.42.2-1), libpkgconf3 (= 1.8.1-2), libpmix-dev (= 5.0.1-4.1), libpmix2t64 (= 5.0.1-4.1), libpnetcdf-dev (= 1.12.3-2build1), libpnetcdf0d (= 1.12.3-2build1), libpng-dev (= 1.6.43-3), libpng16-16t64 (= 1.6.43-3), libpoppler-dev (= 24.02.0-1ubuntu6), libpoppler-private-dev (= 24.02.0-1ubuntu6), libpoppler134 (= 24.02.0-1ubuntu6), libpotrace0 (= 1.16-2), libpq-dev (= 16.2-1ubuntu2), libpq5 (= 16.2-1ubuntu2), libproc2-0 (= 2:4.0.4-4ubuntu1), libproj-dev (= 9.4.0-1), libproj25 (= 9.4.0-1), libpsl5t64 (= 0.21.2-1.1), libpsm-infinipath1 (= 3.3+20.604758e7-6.3), libpsm2-2 (= 11.2.185-2), libptexenc1 (= 2023.20230311.66589-9build1), libpthread-stubs0-dev (= 0.4-1build2), libpython3-all-dev (= 3.12.2-0ubuntu1), libpython3-dev (= 3.12.2-0ubuntu1), libpython3-stdlib (= 3.12.2-0ubuntu1), libpython3.12-dev (= 3.12.2-4build2), libpython3.12-minimal (= 3.12.2-4build2), libpython3.12-stdlib (= 3.12.2-4build2), libpython3.12t64 (= 3.12.2-4build2), libqhull-dev (= 2020.2-6), libqhull-r8.0 (= 2020.2-6), libqhull8.0 (= 2020.2-6), libqhullcpp8.0 (= 2020.2-6), libqt5concurrent5t64 (= 5.15.12+dfsg-3ubuntu5), libqt5core5t64 (= 5.15.12+dfsg-3ubuntu5), libqt5dbus5t64 (= 5.15.12+dfsg-3ubuntu5), libqt5designer5 (= 5.15.12-2build2), libqt5designercomponents5 (= 5.15.12-2build2), libqt5gui5t64 (= 5.15.12+dfsg-3ubuntu5), libqt5help5 (= 5.15.12-2build2), libqt5network5t64 (= 5.15.12+dfsg-3ubuntu5), libqt5opengl5-dev (= 5.15.12+dfsg-3ubuntu5), libqt5opengl5t64 (= 5.15.12+dfsg-3ubuntu5), libqt5positioning5 (= 5.15.12+dfsg-2), libqt5printsupport5t64 (= 5.15.12+dfsg-3ubuntu5), libqt5qml5 (= 5.15.12+dfsg-1build1), libqt5qmlmodels5 (= 5.15.12+dfsg-1build1), libqt5qmlworkerscript5 (= 5.15.12+dfsg-1build1), libqt5quick5 (= 5.15.12+dfsg-1build1), libqt5quickparticles5 (= 5.15.12+dfsg-1build1), libqt5quickshapes5 (= 5.15.12+dfsg-1build1), libqt5quicktest5 (= 5.15.12+dfsg-1build1), libqt5quickwidgets5 (= 5.15.12+dfsg-1build1), libqt5sensors5 (= 5.15.12-1build1), libqt5sql5-sqlite (= 5.15.12+dfsg-3ubuntu5), libqt5sql5t64 (= 5.15.12+dfsg-3ubuntu5), libqt5test5t64 (= 5.15.12+dfsg-3ubuntu5), libqt5webchannel5 (= 5.15.12-1build1), libqt5webkit5 (= 5.212.0~alpha4-34ubuntu3), libqt5webkit5-dev (= 5.212.0~alpha4-34ubuntu3), libqt5widgets5t64 (= 5.15.12+dfsg-3ubuntu5), libqt5xml5t64 (= 5.15.12+dfsg-3ubuntu5), libquadmath0 (= 14-20240315-1ubuntu1), librabbitmq4 (= 0.11.0-1build1), librav1e0 (= 0.7.1-2), librdmacm1t64 (= 50.0-2build1), libreadline8t64 (= 8.2-3.1), librhash0 (= 1.4.3-3), librist4 (= 0.2.10+dfsg-1), librsvg2-2 (= 2.57.91+dfsg-2ubuntu1), librtmp1 (= 2.4+20151223.gitfa8646d.1-2build6), librttopo-dev (= 1.1.0-3build1), librttopo1 (= 1.1.0-3build1), libsasl2-2 (= 2.1.28+dfsg1-4ubuntu4), libsasl2-modules-db (= 2.1.28+dfsg1-4ubuntu4), libseccomp2 (= 2.5.5-1ubuntu1), libselinux1 (= 3.5-2build2), libsemanage-common (= 3.5-1build3), libsemanage2 (= 3.5-1build3), libsensors-config (= 1:3.6.0-9), libsensors5 (= 1:3.6.0-9), libsepol2 (= 3.5-2), libsframe1 (= 2.42-3ubuntu1), libsharpyuv-dev (= 1.3.2-0.4build1), libsharpyuv0 (= 1.3.2-0.4build1), libshine3 (= 3.1.1-2), libsm-dev (= 2:1.2.3-1build2), libsm6 (= 2:1.2.3-1build2), libsmartcols1 (= 2.39.3-9ubuntu2), libsnappy1v5 (= 1.1.10-1), libsodium23 (= 1.0.18-1build2), libsoxr0 (= 0.1.3-4build2), libspatialite-dev (= 5.1.0-3), libspatialite8t64 (= 5.1.0-3), libspeex1 (= 1.2.1-2ubuntu1), libsqlite3-0 (= 3.45.1-1ubuntu1), libsqlite3-dev (= 3.45.1-1ubuntu1), libsrt1.5-gnutls (= 1.5.3-1build1), libssh-4 (= 0.10.6-2build1), libssh-gcrypt-4 (= 0.10.6-2build1), libssl-dev (= 3.0.13-0ubuntu1), libssl3t64 (= 3.0.13-0ubuntu1), libstdc++-13-dev (= 13.2.0-19ubuntu1), libstdc++6 (= 14-20240315-1ubuntu1), libsub-override-perl (= 0.10-1), libsuperlu-dev (= 6.0.1+dfsg1-1), libsuperlu6 (= 6.0.1+dfsg1-1), libsvtav1enc1d1 (= 1.7.0+dfsg-2), libswresample-dev (= 7:6.1.1-2ubuntu2), libswresample4 (= 7:6.1.1-2ubuntu2), libswscale-dev (= 7:6.1.1-2ubuntu2), libswscale7 (= 7:6.1.1-2ubuntu2), libsymspg-dev (= 2.3.1-1ubuntu1), libsymspg2 (= 2.3.1-1ubuntu1), libsynctex2 (= 2023.20230311.66589-9build1), libsystemd0 (= 255.4-1ubuntu4), libsz2 (= 1.1.2-1), libtasn1-6 (= 4.19.0-3), libtbb-dev (= 2021.11.0-2ubuntu2), libtbb12 (= 2021.11.0-2ubuntu2), libtbbbind-2-5 (= 2021.11.0-2ubuntu2), libtbbmalloc2 (= 2021.11.0-2ubuntu2), libtcl8.6 (= 8.6.14+dfsg-1), libteckit0 (= 2.5.12+ds1-1), libtexlua53-5 (= 2023.20230311.66589-9build1), libtext-iconv-perl (= 1.7-8build2), libthai-data (= 0.1.29-2), libthai0 (= 0.1.29-2), libtheora-dev (= 1.1.1+dfsg.1-16.1build1), libtheora0 (= 1.1.1+dfsg.1-16.1build1), libtiff-dev (= 4.5.1+git230720-4ubuntu1), libtiff6 (= 4.5.1+git230720-4ubuntu1), libtiffxx6 (= 4.5.1+git230720-4ubuntu1), libtinfo6 (= 6.4+20240113-1ubuntu1), libtirpc-common (= 1.3.4+ds-1.1), libtirpc-dev (= 1.3.4+ds-1.1), libtirpc3t64 (= 1.3.4+ds-1.1), libtk8.6 (= 8.6.14-1), libtool (= 2.4.7-7), libtsan2 (= 14-20240315-1ubuntu1), libtwolame0 (= 0.4.0-2build2), libubsan1 (= 14-20240315-1ubuntu1), libuchardet0 (= 0.0.8-1), libucx0 (= 1.16.0+ds-4), libudev1 (= 255.4-1ubuntu4), libudfread0 (= 1.1.2-1), libunistring5 (= 1.1-2), libunwind8 (= 1.6.2-3), liburiparser-dev (= 0.9.7+dfsg-2), liburiparser1 (= 0.9.7+dfsg-2), libutfcpp-dev (= 3.2.5+really3.2.4-1), libuuid1 (= 2.39.3-9ubuntu2), libuv1t64 (= 1.48.0-1.1), libva-drm2 (= 2.20.0-2), libva-x11-2 (= 2.20.0-2), libva2 (= 2.20.0-2), libvdpau1 (= 1.5-2), libvorbis0a (= 1.3.7-1build2), libvorbisenc2 (= 1.3.7-1build2), libvorbisfile3 (= 1.3.7-1build2), libvoro++1 (= 0.5+revert-to-0.4.6+dfsg1-1), libvpl2 (= 2023.3.0-1), libvpx8 (= 1.13.1-2ubuntu1), libvtk9-dev (= 9.1.0+really9.1.0+dfsg2-7.1build2), libvtk9-java (= 9.1.0+really9.1.0+dfsg2-7.1build2), libvtk9-qt-dev (= 9.1.0+really9.1.0+dfsg2-7.1build2), libvtk9.1t64 (= 9.1.0+really9.1.0+dfsg2-7.1build2), libvtk9.1t64-qt (= 9.1.0+really9.1.0+dfsg2-7.1build2), libvulkan-dev (= 1.3.275.0-1), libvulkan1 (= 1.3.275.0-1), libwacom-common (= 2.10.0-1build1), libwacom9 (= 2.10.0-1build1), libwayland-client0 (= 1.22.0-2.1), libwayland-server0 (= 1.22.0-2.1), libwebp-dev (= 1.3.2-0.4build1), libwebp7 (= 1.3.2-0.4build1), libwebpdecoder3 (= 1.3.2-0.4build1), libwebpdemux2 (= 1.3.2-0.4build1), libwebpmux3 (= 1.3.2-0.4build1), libwoff1 (= 1.0.2-2), libx11-6 (= 2:1.8.7-1), libx11-data (= 2:1.8.7-1), libx11-dev (= 2:1.8.7-1), libx11-xcb1 (= 2:1.8.7-1), libx264-164 (= 2:0.164.3108+git31e19f9-1), libx265-199 (= 3.5-2), libx265-dev (= 3.5-2), libxapian30 (= 1.4.22-1), libxau-dev (= 1:1.0.9-1build5), libxau6 (= 1:1.0.9-1build5), libxaw7 (= 2:1.0.14-1build1), libxcb-dri2-0 (= 1.15-1), libxcb-dri3-0 (= 1.15-1), libxcb-glx0 (= 1.15-1), libxcb-icccm4 (= 0.4.1-1.1build2), libxcb-image0 (= 0.4.0-2), libxcb-keysyms1 (= 0.4.0-1build3), libxcb-present0 (= 1.15-1), libxcb-randr0 (= 1.15-1), libxcb-render-util0 (= 0.3.9-1build3), libxcb-render0 (= 1.15-1), libxcb-shape0 (= 1.15-1), libxcb-shm0 (= 1.15-1), libxcb-sync1 (= 1.15-1), libxcb-util1 (= 0.4.0-1build2), libxcb-xfixes0 (= 1.15-1), libxcb-xinerama0 (= 1.15-1), libxcb-xinput0 (= 1.15-1), libxcb-xkb1 (= 1.15-1), libxcb1 (= 1.15-1), libxcb1-dev (= 1.15-1), libxcomposite1 (= 1:0.4.5-1build2), libxcursor1 (= 1:1.2.1-1), libxdamage1 (= 1:1.1.6-1), libxdmcp-dev (= 1:1.1.3-0ubuntu5), libxdmcp6 (= 1:1.1.3-0ubuntu5), libxerces-c-dev (= 3.2.4+debian-1.2), libxerces-c3.2t64 (= 3.2.4+debian-1.2), libxext-dev (= 2:1.3.4-1build1), libxext6 (= 2:1.3.4-1build1), libxfixes3 (= 1:6.0.0-2), libxft-dev (= 2.3.6-1), libxft2 (= 2.3.6-1), libxi6 (= 2:1.8.1-1), libxinerama1 (= 2:1.1.4-3), libxkbcommon-x11-0 (= 1.6.0-1), libxkbcommon0 (= 1.6.0-1), libxml2 (= 2.9.14+dfsg-1.3ubuntu1), libxml2-dev (= 2.9.14+dfsg-1.3ubuntu1), libxmu6 (= 2:1.1.3-3build1), libxnvctrl0 (= 510.47.03-0ubuntu1), libxpm4 (= 1:3.5.17-1build1), libxrandr2 (= 2:1.5.2-2), libxrender-dev (= 1:0.9.10-1.1), libxrender1 (= 1:0.9.10-1.1), libxshmfence1 (= 1.3-1build4), libxslt1.1 (= 1.1.39-0exp1), libxss-dev (= 1:1.2.3-1build2), libxss1 (= 1:1.2.3-1build2), libxt-dev (= 1:1.2.1-1.2), libxt6t64 (= 1:1.2.1-1.2), libxtst6 (= 2:1.2.3-1.1), libxvidcore4 (= 2:1.3.7-1), libxxf86vm1 (= 1:1.1.4-1build3), libzmq5 (= 4.3.5-1build1), libzstd-dev (= 1.5.5+dfsg2-2), libzstd1 (= 1.5.5+dfsg2-2), libzvbi-common (= 0.2.42-1.2), libzvbi0t64 (= 0.2.42-1.2), libzzip-0-13 (= 0.13.72+dfsg.1-1.1), linux-libc-dev (= 6.8.0-19.19), login (= 1:4.13+dfsg1-4ubuntu1), lto-disabled-list (= 47), m4 (= 1.4.19-4), make (= 4.3-4.1build1), man-db (= 2.12.0-3build4), mawk (= 1.3.4.20240123-1), media-types (= 10.1.0), mpi-default-bin (= 1.15), mpi-default-dev (= 1.15), mysql-common (= 5.8+1.1.0), ncurses-base (= 6.4+20240113-1ubuntu1), ncurses-bin (= 6.4+20240113-1ubuntu1), netbase (= 6.4), ocl-icd-libopencl1 (= 2.3.2-1), ocl-icd-opencl-dev (= 2.3.2-1), opencl-c-headers (= 3.0~2023.12.14-1), opencl-clhpp-headers (= 3.0~2023.12.14-1ubuntu1), openjdk-21-jdk (= 21.0.3~6ea-1), openjdk-21-jdk-headless (= 21.0.3~6ea-1), openjdk-21-jre (= 21.0.3~6ea-1), openjdk-21-jre-headless (= 21.0.3~6ea-1), openmpi-bin (= 4.1.6-6ubuntu1), openmpi-common (= 4.1.6-6ubuntu1), openssh-client (= 1:9.6p1-3ubuntu8), openssl (= 3.0.13-0ubuntu1), passwd (= 1:4.13+dfsg1-4ubuntu1), patch (= 2.7.6-7build2), perl (= 5.38.2-3.2), perl-base (= 5.38.2-3.2), perl-modules-5.38 (= 5.38.2-3.2), pkg-config (= 1.8.1-2), pkgconf (= 1.8.1-2), pkgconf-bin (= 1.8.1-2), po-debconf (= 1.0.21+nmu1), preview-latex-style (= 13.2-1), procps (= 2:4.0.4-4ubuntu1), proj-data (= 9.4.0-1), pybuild-plugin-pyproject (= 6.20231223ubuntu2), python-babel-localedata (= 2.10.3-3build1), python3 (= 3.12.2-0ubuntu1), python3-alabaster (= 0.7.12-1), python3-all (= 3.12.2-0ubuntu1), python3-all-dev (= 3.12.2-0ubuntu1), python3-babel (= 2.10.3-3build1), python3-breathe (= 4.35.0-3), python3-build (= 1.0.3-2), python3-certifi (= 2023.11.17-1), python3-chardet (= 5.2.0+dfsg-1), python3-dev (= 3.12.2-0ubuntu1), python3-docutils (= 0.20.1+dfsg-3), python3-enchant (= 3.2.2-1), python3-idna (= 3.6-2), python3-imagesize (= 1.4.1-1), python3-importlib-metadata (= 4.12.0-1), python3-installer (= 0.7.0+dfsg1-2), python3-jinja2 (= 3.1.2-1ubuntu1), python3-markupsafe (= 2.1.5-1), python3-minimal (= 3.12.2-0ubuntu1), python3-more-itertools (= 10.2.0-1), python3-mpi4py (= 3.1.5-5ubuntu1), python3-packaging (= 23.2-1), python3-pip-whl (= 24.0+dfsg-1ubuntu1), python3-pkg-resources (= 68.1.2-2ubuntu1), python3-pygments (= 2.17.2+dfsg-1), python3-pyproject-hooks (= 1.0.0-2), python3-requests (= 2.31.0+dfsg-1ubuntu1), python3-roman (= 3.3-3), python3-setuptools (= 68.1.2-2ubuntu1), python3-setuptools-whl (= 68.1.2-2ubuntu1), python3-snowballstemmer (= 2.2.0-4), python3-sphinx (= 7.2.6-5), python3-sphinx-tabs (= 3.4.4-1), python3-sphinxcontrib.jquery (= 4.1-5), python3-sphinxcontrib.spelling (= 7.7.0-1), python3-toml (= 0.10.2-1), python3-tz (= 2024.1-2), python3-urllib3 (= 2.0.7-1), python3-venv (= 3.12.2-0ubuntu1), python3-vtk9 (= 9.1.0+really9.1.0+dfsg2-7.1build2), python3-wheel (= 0.42.0-2), python3-zipp (= 1.0.0-6), python3.12 (= 3.12.2-4build2), python3.12-dev (= 3.12.2-4build2), python3.12-minimal (= 3.12.2-4build2), python3.12-venv (= 3.12.2-4build2), qdoc-qt5 (= 5.15.12-2build2), qhelpgenerator-qt5 (= 5.15.12-2build2), qt5-assistant (= 5.15.12-2build2), qt5-qmake (= 5.15.12+dfsg-3ubuntu5), qt5-qmake-bin (= 5.15.12+dfsg-3ubuntu5), qt5-qmltooling-plugins (= 5.15.12+dfsg-1build1), qtattributionsscanner-qt5 (= 5.15.12-2build2), qtbase5-dev (= 5.15.12+dfsg-3ubuntu5), qtbase5-dev-tools (= 5.15.12+dfsg-3ubuntu5), qtchooser (= 66-2build1), qtdeclarative5-dev (= 5.15.12+dfsg-1build1), qtdeclarative5-dev-tools (= 5.15.12+dfsg-1build1), qttools5-dev (= 5.15.12-2build2), qttools5-dev-tools (= 5.15.12-2build2), qttools5-private-dev (= 5.15.12-2build2), readline-common (= 8.2-3.1), rpcsvc-proto (= 1.4.2-0ubuntu6), sed (= 4.9-2), sensible-utils (= 0.0.22), sgml-base (= 1.31), shared-mime-info (= 2.4-1build1), sphinx-common (= 7.2.6-5), sphinx-rtd-theme-common (= 2.0.0+dfsg-1), sysvinit-utils (= 3.08-6ubuntu2), t1utils (= 1.41-4build2), tar (= 1.35+dfsg-3), tcl (= 8.6.13), tcl-dev (= 8.6.13), tcl8.6 (= 8.6.14+dfsg-1), tcl8.6-dev (= 8.6.14+dfsg-1), tex-common (= 6.18), tex-gyre (= 20180621-6), texlive-base (= 2023.20240207-1), texlive-binaries (= 2023.20230311.66589-9build1), texlive-fonts-recommended (= 2023.20240207-1), texlive-latex-base (= 2023.20240207-1), texlive-latex-extra (= 2023.20240207-1), texlive-latex-recommended (= 2023.20240207-1), texlive-pictures (= 2023.20240207-1), tk (= 8.6.13), tk-dev (= 8.6.13), tk8.6 (= 8.6.14-1), tk8.6-dev (= 8.6.14-1), tzdata (= 2024a-1ubuntu1), ubuntu-mono (= 24.04-0ubuntu1), ucf (= 3.0043+nmu1), unixodbc-common (= 2.3.12-1build1), unixodbc-dev (= 2.3.12-1build1), util-linux (= 2.39.3-9ubuntu2), uuid-dev (= 2.39.3-9ubuntu2), voro++-dev (= 0.5+revert-to-0.4.6+dfsg1-1), vtk9 (= 9.1.0+really9.1.0+dfsg2-7.1build2), x11-common (= 1:7.7+23ubuntu2), x11proto-dev (= 2023.2-1), xdg-utils (= 1.1.3-4.1ubuntu3), xfonts-encodings (= 1:1.0.5-0ubuntu2), xfonts-utils (= 1:7.7+6build2), xkb-data (= 2.41-2), xml-core (= 0.19), xorg-sgml-doctools (= 1:1.11-1.1), xtrans-dev (= 1.4.0-1), xz-utils (= 5.6.0-0.2), zlib1g (= 1:1.3.dfsg-3.1ubuntu1), zlib1g-dev (= 1:1.3.dfsg-3.1ubuntu1) Environment: DEB_BUILD_OPTIONS="parallel=4" DEB_BUILD_PROFILES="noudeb" LANG="C.UTF-8" LC_ALL="C.UTF-8" SOURCE_DATE_EPOCH="1710570546" +------------------------------------------------------------------------------+ | Package contents | +------------------------------------------------------------------------------+ lammps-data_20240207+dfsg-1.1build2_all.deb ------------------------------------------- new Debian package, version 2.0. size 9706434 bytes: control archive=6967 bytes. 1109 bytes, 25 lines control 19690 bytes, 247 lines md5sums Package: lammps-data Source: lammps Version: 20240207+dfsg-1.1build2 Architecture: all Maintainer: Ubuntu Developers Installed-Size: 53573 Section: doc Priority: optional Multi-Arch: foreign Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator. Data (potentials) LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . The package contains data (potentials) Original-Maintainer: Debian Science Maintainers drwxr-xr-x root/root 0 2024-03-16 06:29 ./ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/doc/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/doc/lammps-data/ -rw-r--r-- root/root 3549 2024-03-16 06:29 ./usr/share/doc/lammps-data/changelog.Debian.gz -rw-r--r-- root/root 16713 2024-02-18 15:27 ./usr/share/doc/lammps-data/copyright drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/emacs/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/emacs/site-lisp/ -rw-r--r-- root/root 6668 2024-02-13 23:51 ./usr/share/emacs/site-lisp/lammps-mode.el drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/potentials/ -rw-r--r-- root/root 36549 2024-02-13 23:51 ./usr/share/lammps/potentials/Ag_u3.eam -rw-r--r-- root/root 3026369 2024-02-13 23:51 ./usr/share/lammps/potentials/AlCu.adp -rw-r--r-- root/root 487738 2024-02-13 23:51 ./usr/share/lammps/potentials/AlCu.bop.table -rw-r--r-- root/root 298807 2024-02-13 23:51 ./usr/share/lammps/potentials/AlCu.eam.alloy -rw-r--r-- root/root 975942 2024-02-13 23:51 ./usr/share/lammps/potentials/AlCuH.bop.table -rw-r--r-- root/root 2268472 2024-02-13 23:51 ./usr/share/lammps/potentials/AlFe_mm.eam.fs -rw-r--r-- root/root 170699 2024-02-13 23:51 ./usr/share/lammps/potentials/AlO.eam.alloy -rw-r--r-- root/root 468 2024-02-13 23:51 ./usr/share/lammps/potentials/AlO.streitz -rw-r--r-- root/root 2313 2024-02-13 23:51 ./usr/share/lammps/potentials/AlSiMgCuFe.meam -rw-r--r-- root/root 2040968 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_Batra_2019.agni -rw-r--r-- root/root 35756 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_jnp.eam -rw-r--r-- root/root 840424 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_jpc.agni -rw-r--r-- root/root 756379 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_mm.eam.fs -rw-r--r-- root/root 279929 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_prb.agni -rw-r--r-- root/root 710424 2024-02-13 23:51 ./usr/share/lammps/potentials/Al_zhou.eam.alloy -rw-r--r-- root/root 36548 2024-02-13 23:51 ./usr/share/lammps/potentials/Au_u3.eam -rw-r--r-- root/root 6592 2024-02-13 23:51 ./usr/share/lammps/potentials/BN.extep -rw-r--r-- root/root 5614 2024-02-13 23:51 ./usr/share/lammps/potentials/BNC.tersoff -rw-r--r-- root/root 2050 2024-02-13 23:51 ./usr/share/lammps/potentials/BNCH-old.ILP -rw-r--r-- root/root 2439 2024-02-13 23:51 ./usr/share/lammps/potentials/BNCH.ILP -rw-r--r-- root/root 1985 2024-02-13 23:51 ./usr/share/lammps/potentials/BNC_MBD_bulk.ILP -rw-r--r-- root/root 1979 2024-02-13 23:51 ./usr/share/lammps/potentials/BNC_TS_bulk.ILP -rw-r--r-- root/root 330 2024-02-13 23:51 ./usr/share/lammps/potentials/Bi.meam -rw-r--r-- root/root 862 2024-02-13 23:51 ./usr/share/lammps/potentials/C.drip -rw-r--r-- root/root 4000 2024-02-13 23:51 ./usr/share/lammps/potentials/C.lcbop -rwxr-xr-x root/root 4941 2024-02-13 23:51 ./usr/share/lammps/potentials/CBNOH.aip.water.2dm -rw-r--r-- root/root 350 2024-02-13 23:51 ./usr/share/lammps/potentials/CC.KC -rw-r--r-- root/root 333 2024-02-13 23:51 ./usr/share/lammps/potentials/CC.KC-full -rw-r--r-- root/root 927 2024-02-13 23:51 ./usr/share/lammps/potentials/CC.Lebedeva -rw-r--r-- root/root 487719 2024-02-13 23:51 ./usr/share/lammps/potentials/CCu_v2.bop.table -rw-r--r-- root/root 833 2024-02-13 23:51 ./usr/share/lammps/potentials/CH.KC -rw-r--r-- root/root 926706 2024-02-13 23:51 ./usr/share/lammps/potentials/CH.airebo -rw-r--r-- root/root 926959 2024-02-13 23:51 ./usr/share/lammps/potentials/CH.airebo-m -rw-r--r-- root/root 926698 2024-02-13 23:51 ./usr/share/lammps/potentials/CH.rebo -rw-r--r-- root/root 1882 2024-02-13 23:51 ./usr/share/lammps/potentials/CHAu.ILP -rw-r--r-- root/root 895 2024-02-13 23:51 ./usr/share/lammps/potentials/CH_taper.KC -rw-r--r-- root/root 2599 2024-02-13 23:51 ./usr/share/lammps/potentials/COH.DMC.aip.water.2dm -rw-r--r-- root/root 115738 2024-02-13 23:51 ./usr/share/lammps/potentials/C_SNAP_2021.10.15.quadratic.snapcoeff -rw-r--r-- root/root 131 2024-02-13 23:51 ./usr/share/lammps/potentials/C_SNAP_2021.10.15.quadratic.snapparam -rw-r--r-- root/root 390031 2024-02-13 23:51 ./usr/share/lammps/potentials/CdTe.bop.table -rw-r--r-- root/root 2177 2024-02-13 23:51 ./usr/share/lammps/potentials/CdTe.sw -rw-r--r-- root/root 847513 2024-02-13 23:51 ./usr/share/lammps/potentials/CdTeSe.bop.table -rw-r--r-- root/root 780327 2024-02-13 23:51 ./usr/share/lammps/potentials/CdTeZn.bop.table -rw-r--r-- root/root 38476 2024-02-13 23:51 ./usr/share/lammps/potentials/CdTeZnSeHgS0.sw -rw-r--r-- root/root 849938 2024-02-13 23:51 ./usr/share/lammps/potentials/CdZnTe_v1.bop.table -rw-r--r-- root/root 845127 2024-02-13 23:51 ./usr/share/lammps/potentials/CdZnTe_v2.bop.table -rw-r--r-- root/root 369349 2024-02-13 23:51 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Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator (documentation) LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . The package contains documentation. 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./usr/share/doc/lammps/html/velocity.html -rw-r--r-- root/root 26596 2024-03-16 06:29 ./usr/share/doc/lammps/html/write_coeff.html -rw-r--r-- root/root 34733 2024-03-16 06:29 ./usr/share/doc/lammps/html/write_data.html -rw-r--r-- root/root 36443 2024-03-16 06:29 ./usr/share/doc/lammps/html/write_dump.html -rw-r--r-- root/root 30754 2024-03-16 06:29 ./usr/share/doc/lammps/html/write_restart.html lammps-examples_20240207+dfsg-1.1build2_all.deb ----------------------------------------------- new Debian package, version 2.0. size 46865798 bytes: control archive=79258 bytes. 1139 bytes, 26 lines control 321998 bytes, 3302 lines md5sums Package: lammps-examples Source: lammps Version: 20240207+dfsg-1.1build2 Architecture: all Maintainer: Ubuntu Developers Installed-Size: 216480 Recommends: lammps Section: doc Priority: optional Multi-Arch: foreign Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator (examples) LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . The package contains example scripts and benchmarks. Original-Maintainer: Debian Science Maintainers drwxr-xr-x root/root 0 2024-03-16 06:29 ./ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/doc/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/doc/lammps-examples/ -rw-r--r-- root/root 3549 2024-03-16 06:29 ./usr/share/doc/lammps-examples/changelog.Debian.gz -rw-r--r-- root/root 16713 2024-02-18 15:27 ./usr/share/doc/lammps-examples/copyright lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/doc/lammps-examples/examples -> ../../lammps/examples drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/bench/ -rw-r--r-- root/root 36575 2024-02-13 23:51 ./usr/share/lammps/bench/Cu_u3.eam drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/bench/POTENTIALS/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/bench/POTENTIALS/CH.airebo -> 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root/root 5896 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/bocs/log.27Nov18.methanol.g++.4 -rw-r--r-- root/root 22318 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/bocs/methanol.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/ -rw-r--r-- root/root 1161 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/in2d.velocity -rw-r--r-- root/root 6399 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/log.11May2021.in2d_velocity.g++.1 -rw-r--r-- root/root 6405 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/2d_velocity/log.11May2021.in2d_velocity.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/ -rw-r--r-- root/root 1591 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/in2d.ellipsoid -rw-r--r-- root/root 1584 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/in3d.ellipsoid -rw-r--r-- root/root 9056 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in2d.ellipsoid.g++.1 -rw-r--r-- root/root 9057 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in2d.ellipsoid.g++.4 -rw-r--r-- root/root 9047 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in3d.ellipsoid.g++.1 -rw-r--r-- root/root 9047 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/asphere/log.11May2021.in3d.ellipsoid.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/point/ -rw-r--r-- root/root 1005 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/point/in2d.point -rw-r--r-- root/root 1009 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/point/in3d.point -rw-r--r-- root/root 5873 2024-02-13 23:51 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./usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in2d.sphere.g++.4 -rw-r--r-- root/root 6554 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in3d.sphere.g++.1 -rw-r--r-- root/root 6554 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/sphere/log.11May2021.in3d.sphere.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/ -rw-r--r-- root/root 1491 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/in2d.abp -rw-r--r-- root/root 1949 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/in3d.ideal_abp -rw-r--r-- root/root 10158 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in2d.apb.g++.1 -rw-r--r-- root/root 10164 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/brownian/spherical_ABP/log.11May2021.in2d.apb.g++.4 -rw-r--r-- root/root 9700 2024-02-13 23:51 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2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/diffraction/in.BulkNi -rw-r--r-- root/root 2459 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/diffraction/log.27Nov18.BulkNi.g++.1 -rw-r--r-- root/root 2456 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/diffraction/log.27Nov18.BulkNi.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/ -rw-r--r-- root/root 881 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/ -rw-r--r-- root/root 800 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/in.dpd -rw-r--r-- root/root 6233 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.1 -rw-r--r-- root/root 6232 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/dpd-basic/dpd/log.5Apr22.dpd.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 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-rw-r--r-- root/root 8308 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/piston/log.1Dec2022.piston.g++.1 -rw-r--r-- root/root 8325 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/piston/log.1Dec2022.piston.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/ -rw-r--r-- root/root 17272 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/data.au-vac -rw-r--r-- root/root 438 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-ewald-ew2d -rw-r--r-- root/root 445 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-ewald-ew3dc -rw-r--r-- root/root 456 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-ewald-ffield -rw-r--r-- root/root 437 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-pppm-ew3dc -rw-r--r-- root/root 455 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/in.planar-pppm-ffield -rw-r--r-- root/root 6245 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew2d.g++.1 -rw-r--r-- root/root 6261 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew2d.g++.4 -rw-r--r-- root/root 6257 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew3dc.g++.1 -rw-r--r-- root/root 6273 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ew3dc.g++.4 -rw-r--r-- root/root 6263 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ffield.g++.1 -rw-r--r-- root/root 6280 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-ewald-ffield.g++.4 -rw-r--r-- root/root 6635 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ew3dc.g++.1 -rw-r--r-- root/root 6650 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ew3dc.g++.4 -rw-r--r-- root/root 6651 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ffield.g++.1 -rw-r--r-- root/root 6668 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/log.1Dec2022.planar-pppm-ffield.g++.4 -rw-r--r-- root/root 1085 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/settings.mod -rw-r--r-- root/root 335 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electrode/planar/test.sh drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/electron_stopping/ -rw-r--r-- root/root 409 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/Si.Si.elstop lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/electron_stopping/Si.sw -> ../../../potentials/Si.sw -rw-r--r-- root/root 1045 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/in.cascade_AlCu -rw-r--r-- root/root 987 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/in.cascade_SiSi -rw-r--r-- root/root 769 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/in.elstop -rw-r--r-- root/root 877 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/in.elstop.only -rw-r--r-- root/root 5221 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_AlCu.intel.1 -rw-r--r-- root/root 5222 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_AlCu.intel.4 -rw-r--r-- root/root 5177 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_SiSi.intel.1 -rw-r--r-- root/root 5180 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.18Sep2020.cascade_SiSi.intel.4 -rw-r--r-- root/root 28009 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.g++.1 -rw-r--r-- root/root 27994 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.g++.4 -rw-r--r-- root/root 9319 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.only.g++.1 -rw-r--r-- root/root 9320 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/electron_stopping/log.20Mar19.elstop.only.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/entropy/ -rw-r--r-- root/root 756307 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/entropy/Na_MendelevM_2014.eam.fs -rw-r--r-- root/root 746884 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/entropy/data.interface -rw-r--r-- root/root 821 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/entropy/in.entropy -rw-r--r-- root/root 4475 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/entropy/log.entropy drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/extep/ -rw-r--r-- root/root 4567 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/extep/BN.data lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/extep/BN.extep -> ../../../potentials/BN.extep -rw-r--r-- root/root 647 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/extep/in.extep-bn -rw-r--r-- root/root 18767 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/extep/log.23Oct17.extep-bn.g++.1 -rw-r--r-- root/root 18764 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/extep/log.23Oct17.extep-bn.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/ -rw-r--r-- root/root 107062 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/data.init_conf_with_heptane -rw-r--r-- root/root 2056 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/in.insertion -rw-r--r-- root/root 130983 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep01/log.insertion drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/ -rw-r--r-- root/root 107062 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/data.init_conf_with_heptane -rw-r--r-- root/root 2055 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/in.deletion -rw-r--r-- root/root 130982 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/C7inEthanol/fep10/log.deletion drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/ -rw-r--r-- root/root 3411 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/README.md drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/data.0.lmp -> ../mols/data.0.lmp -rw-r--r-- root/root 734 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/fep01.fep -rw-r--r-- root/root 5414 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/in.fep01.lmp -rw-r--r-- root/root 261863 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep01/log.fep01 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/data.1.lmp -> ../mols/data.1.lmp -rw-r--r-- root/root 720 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/fep10.fep -rw-r--r-- root/root 5413 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/in.fep10.lmp -rw-r--r-- root/root 261863 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/fep10/log.fep10 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/ -rw-r--r-- root/root 1922 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/CC-CO.ff -rw-r--r-- root/root 338 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/CC-CO.zmat -rw-r--r-- root/root 338 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/CO-CC.zmat -rw-r--r-- root/root 475 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/README -rw-r--r-- root/root 140862 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/data.0.lmp -rw-r--r-- root/root 140862 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/data.1.lmp -rw-r--r-- root/root 329 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/spce.ff -rw-r--r-- root/root 56 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CC-CO/mols/spce.zmat drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/ -rw-r--r-- root/root 3446 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/README.md drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar01/ -rw-r--r-- root/root 131382 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar01/bar01.fep lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar01/data.0.lmp -> ../mols/data.0.lmp -rw-r--r-- root/root 2424 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar01/in.bar01.lmp -rw-r--r-- root/root 117612 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar01/log.bar01 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar10/ -rw-r--r-- root/root 122443 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar10/bar10.fep lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar10/data.1.lmp -> ../mols/data.1.lmp -rw-r--r-- root/root 2424 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar10/in.bar10.lmp -rw-r--r-- root/root 117612 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/bar10/log.ber10 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep01/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep01/data.0.lmp -> ../mols/data.0.lmp -rw-r--r-- root/root 725 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep01/fep01.fep -rw-r--r-- root/root 2924 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep01/in.fep01.lmp -rw-r--r-- root/root 394346 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep01/log.fep01 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep10/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep10/data.1.lmp -> ../mols/data.1.lmp -rw-r--r-- root/root 750 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep10/fep10.fep -rw-r--r-- root/root 2924 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep10/in.fep10.lmp -rw-r--r-- root/root 394346 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/fep10/log.fep01 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/ -rw-r--r-- root/root 313 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/CF4-CH4.zmat -rw-r--r-- root/root 911 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/CH4-CF4.ff -rw-r--r-- root/root 313 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/CH4-CF4.zmat -rw-r--r-- root/root 139808 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/data.0.lmp -rw-r--r-- root/root 139808 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/data.1.lmp -rw-r--r-- root/root 329 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/spce.ff -rw-r--r-- root/root 56 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4-CF4/mols/spce.zmat drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/ -rw-r--r-- root/root 2292 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/README.md drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/data.lmp -> ../mols/data.lmp -rw-r--r-- root/root 789 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/fdti01.fep -rw-r--r-- root/root 2703 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/in.fdti01.lmp -rw-r--r-- root/root 85899 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti01/log.fdti01 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/data.lmp -> ../mols/data.lmp -rw-r--r-- root/root 792 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/fdti10.fep -rw-r--r-- root/root 2891 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/in.fdti10.lmp -rw-r--r-- root/root 86378 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fdti10/log.fdti10 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/data.lmp -> ../mols/data.lmp -rw-r--r-- root/root 731 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/fep01.fep -rw-r--r-- root/root 2284 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/in.fep01.lmp -rw-r--r-- root/root 79342 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep01/log.fep01 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/data.lmp -> ../mols/data.lmp -rw-r--r-- root/root 733 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/fep10.fep -rw-r--r-- root/root 2260 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/in.fep10.lmp -rw-r--r-- root/root 79267 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/fep10/log.fep10 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/ -rw-r--r-- root/root 142454 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/data.lmp -rw-r--r-- root/root 141 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/methane.zmat -rw-r--r-- root/root 3619 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/oplsaa.ff -rw-r--r-- root/root 344 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/tip4pew.ff -rw-r--r-- root/root 64 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/CH4hyd/mols/tip4pew.zmat -rw-r--r-- root/root 1128 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/README.md drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/ -rw-r--r-- root/root 1789 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/README.md drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/fep/SPCEhyd/fep01/data.lmp -> ../mols/data.lmp 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23:51 ./usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.peptide.g++.1 -rw-r--r-- root/root 5387 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/filter_corotate/log.22Jun2017.peptide.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/ -rw-r--r-- root/root 1943 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/README -rw-r--r-- root/root 8435 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/in.GD -rw-r--r-- root/root 44993 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/log.6Jul17.GD.g++.1 -rw-r--r-- root/root 44999 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/log.6Jul17.GD.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/ -rw-r--r-- root/root 1110 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/flow_gauss/output-files/GD.out -rw-r--r-- root/root 3160 2024-02-13 23:51 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./usr/share/lammps/examples/PACKAGES/gauss_diel/log.gauss-diel-split drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/ -rw-r--r-- root/root 12575 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/data.h2o-quantum -rw-r--r-- root/root 12574 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/data.h2o-smart -rw-r--r-- root/root 1020 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/in.h2o-quantum -rw-r--r-- root/root 1044 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/in.h2o-smart -rw-r--r-- root/root 9358 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/log.h2o-quantum -rw-r--r-- root/root 9327 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/log.h2o-smart -rw-r--r-- root/root 1127 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/qt-300k.A -rw-r--r-- root/root 1127 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/gle/qt-300k.C -rw-r--r-- root/root 1125 2024-02-13 23:51 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root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/0/ -rw-r--r-- root/root 90515 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/0/lj.data -rw-r--r-- root/root 91040 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/0/log.lammps.0 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/1/ -rw-r--r-- root/root 90518 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/1/lj.data -rw-r--r-- root/root 91039 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/1/log.lammps.1 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/2/ -rw-r--r-- root/root 90516 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/grem/lj-temper/2/lj.data -rw-r--r-- root/root 91038 2024-02-13 23:51 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root/root 84314 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/weights.001.data -rw-r--r-- root/root 88889 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/hdnnp-data/weights.008.data -rw-r--r-- root/root 1790 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/in.hdnnp -rw-r--r-- root/root 2004 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/in.hybrid -rw-r--r-- root/root 36250 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.1 -rw-r--r-- root/root 36250 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hdnnp.g++.4 -rw-r--r-- root/root 37018 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.1 -rw-r--r-- root/root 37023 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hdnnp/log.23Aug23.hybrid.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hma/ -rw-r--r-- root/root 732 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hma/README -rw-r--r-- root/root 848 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hma/hma.in -rw-r--r-- root/root 1490199 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hma/log.6Nov18.hma.g++.1 -rw-r--r-- root/root 1490197 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/hma/log.6Nov18.hma.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/ -rw-r--r-- root/root 2377 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/README -rw-r--r-- root/root 364587 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/bucky-plus-cnt-mol.psf -rw-r--r-- root/root 1435 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/bucky_cnt_imd.vmd -rw-r--r-- root/root 248541 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/data.bucky-plus-cnt -rw-r--r-- root/root 1126965 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/data.deca-ala-solv -rw-r--r-- root/root 709164 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/deca-ala-solv.psf -rw-r--r-- root/root 721 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/deca-ala-solv_imd-demo.vmd -rw-r--r-- root/root 23518 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/deca-ala.psf -rw-r--r-- root/root 353 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/deca-ala_imd-demo.vmd -rw-r--r-- root/root 215 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/falcon.tcl -rw-r--r-- root/root 1447 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.bucky-plus-cnt -rw-r--r-- root/root 1520 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.bucky-plus-cnt-gpu -rw-r--r-- root/root 687 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.deca-ala-solv-filter_imd -rw-r--r-- root/root 673 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.deca-ala-solv_imd -rw-r--r-- root/root 677 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.deca-ala_imd -rw-r--r-- root/root 755 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.deca-ala_imd-gpu -rw-r--r-- root/root 462 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.melt_imd -rw-r--r-- root/root 520 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/in.melt_imd-gpu -rw-r--r-- root/root 316818 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/melt.psf -rw-r--r-- root/root 437 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/imd/melt_imd-demo.vmd drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/CBNOH.aip.water.2dm -> ../../../../potentials/CBNOH.aip.water.2dm -rw-r--r-- root/root 64909 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/gra_water.data -rw-r--r-- root/root 1914 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/in.gr_water -rw-r--r-- root/root 1922 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/in.gr_water.opt -rw-r--r-- root/root 9923 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.g++.1 -rw-r--r-- root/root 9927 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.g++.4 -rw-r--r-- root/root 10611 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.opt.g++.1 -rw-r--r-- root/root 10610 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/aip_water_2dm/log.18May23.gr_water.opt.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/C.drip -> ../../../../potentials/C.drip lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/CH.rebo -> ../../../../potentials/CH.rebo -rw-r--r-- root/root 171 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/README.txt -rw-r--r-- root/root 31457 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/data.C -rw-r--r-- root/root 42773 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/data.CH -rw-r--r-- root/root 769 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/in.CH_drip -rw-r--r-- root/root 683 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/in.C_drip -rw-r--r-- root/root 4256 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.CH_drip.g++.1 -rw-r--r-- root/root 4259 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.CH_drip.g++.4 -rw-r--r-- root/root 4168 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.C_drip.g++.1 -rw-r--r-- root/root 4257 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/drip/log.30Apr19.C_drip.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/BNC.tersoff -> ../../../../potentials/BNC.tersoff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/BNCH-old.ILP -> ../../../../potentials/BNCH-old.ILP lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/BNCH.ILP -> ../../../../potentials/BNCH.ILP -rw-r--r-- root/root 152539 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/Bi_gr_AB_stack_2L_noH.data lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/CH.rebo -> ../../../../potentials/CH.rebo -rw-r--r-- root/root 161499 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/gr_hBN_Cstack_2L_noH.data -rw-r--r-- root/root 138934 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/hBN_AA_prime_stack_2L_noH.data -rw-r--r-- root/root 246016 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/hBN_AB_stack_2L_noH_equi_300K.data -rw-r--r-- root/root 1648 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-graphene -rw-r--r-- root/root 2135 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.bilayer-hBN -rw-r--r-- root/root 2092 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.grhBN -rw-r--r-- root/root 2162 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/in.ilp_graphene_hbn -rw-r--r-- root/root 5290 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.1 -rw-r--r-- root/root 5279 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-graphene.g++.4 -rw-r--r-- root/root 6408 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.1 -rw-r--r-- root/root 6391 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.bilayer-hBN.g++.4 -rw-r--r-- root/root 6861 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.grhBN.g++.1 -rw-r--r-- root/root 6852 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.grhBN.g++.4 -rw-r--r-- root/root 6472 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.1 -rw-r--r-- root/root 6464 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_graphene_hbn/log.31Jul19.ilp_graphene_hbn.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/TMD.ILP -> ../../../../potentials/TMD.ILP -rw-r--r-- root/root 137077 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/bilayer_MoS2_AAprime_stacking.data -rw-r--r-- root/root 1054 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/in.mos2 -rw-r--r-- root/root 6458 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/log.7Jan22.mos2.g++.1 -rw-r--r-- root/root 6457 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/log.7Jan22.mos2.g++.4 -rw-r--r-- root/root 11117 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/ilp_tmds/tmd.sw.mod drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/ -rw-r--r-- root/root 152539 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH.data -rw-r--r-- root/root 245256 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/Bi_gr_AB_stack_2L_noH_300K.data lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/CH.rebo -> ../../../../potentials/CH.rebo lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/CH_taper.KC -> ../../../../potentials/CH_taper.KC -rw-r--r-- root/root 1741 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/in.bilayer-graphene -rw-r--r-- root/root 6718 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.1 -rw-r--r-- root/root 6715 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.g++.4 -rw-r--r-- root/root 6473 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.1 -rw-r--r-- root/root 6454 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_full/log.5Jun19.bilayer-graphene.icc.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/CC.KC -> ../../../../potentials/CC.KC lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/CH.rebo -> ../../../../potentials/CH.rebo -rw-r--r-- root/root 11695 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/data.bilayer-graphene -rw-r--r-- root/root 5980 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/data.graphene-adsorbant -rw-r--r-- root/root 1533 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/in.atom-diffusion -rw-r--r-- root/root 1555 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/in.bilayer-graphene -rw-r--r-- root/root 13615 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.1 -rw-r--r-- root/root 13619 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.16Mar18.atom-diffusion.g++.4 -rw-r--r-- root/root 14035 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.1 -rw-r--r-- root/root 14027 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/kolmogorov_crespi_z/log.30Apr19.bilayer-graphene.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/ -rw-r--r-- root/root 177 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/2particles.dat -rw-r--r-- root/root 1414 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/2particles.in -rw-r--r-- root/root 872 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/CC.Lebedeva -rw-r--r-- root/root 35801 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/LammpsResult.dat -rw-r--r-- root/root 2327 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/LebDer.pl -rw-r--r-- root/root 641 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/lebedeva/lebedeva00.plot drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/ -rw-r--r-- root/root 6334 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/3Lgold_1Lgr_atop_sliding.data lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/Au_u3.eam -> ../../../../potentials/Au_u3.eam lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/CH.rebo -> ../../../../potentials/CH.rebo lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/CHAu.ILP -> ../../../../potentials/CHAu.ILP -rw-r--r-- root/root 1209 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/in.gold_gr -rw-r--r-- root/root 6161 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/log.7Jan22.gold_gr.g++.1 -rw-r--r-- root/root 6159 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/interlayer/saip_metal/log.7Jan22.gold_gr.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/ -rw-r--r-- root/root 4203 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/C.opt.tersoff -rw-r--r-- root/root 1522 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/README -rw-r--r-- root/root 149849 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/data.graphene -rw-r--r-- root/root 1860 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/i-pi_input.xml -rw-r--r-- root/root 46232 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/i-pi_positions.xyz -rw-r--r-- root/root 959 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ipi/in.graphene drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/confined_colloid/ -rw-r--r-- root/root 5731 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/confined_colloid/in.confined_colloids -rw-r--r-- root/root 8826 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/confined_colloid/log.09Mar22.confined_colloids.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/diffusingsphere/ -rw-r--r-- root/root 7736 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/diffusingsphere/in.trapnewsphere -rw-r--r-- root/root 17319 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/diffusingsphere/log.09Mar22.trapnewsphere.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/dragforce/ -rw-r--r-- root/root 6683 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/dragforce/in.dragtest -rw-r--r-- root/root 10549 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/dragforce/log.09Mar22.dragtest.g++.1 -rw-r--r-- root/root 10551 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/dragforce/log.09Mar22.dragtest.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/microrheology/ -rw-r--r-- root/root 32488 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/microrheology/data.two -rw-r--r-- root/root 5759 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/microrheology/in.microrheology -rw-r--r-- root/root 10680 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/microrheology/log.09Mar22.microrheology.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/ -rw-r--r-- root/root 21319 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/data.one_radius16d2 -rw-r--r-- root/root 5528 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/in.pits -rw-r--r-- root/root 8967 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/log.09Mar22.pits.g++.1 -rw-r--r-- root/root 8966 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/pit_geometry/log.09Mar22.pits.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/planewall/ -rw-r--r-- root/root 21319 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/planewall/data.one_radius16d2 -rw-r--r-- root/root 5040 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/planewall/in.planewall -rw-r--r-- root/root 20962 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/planewall/log.09Mar22.planewall.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/polymer/ -rw-r--r-- root/root 32594 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/polymer/data.polymer -rw-r--r-- root/root 5734 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/polymer/in.polymer -rw-r--r-- root/root 9171 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/polymer/log.09Mar22.polymer.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/toycar/ -rw-r--r-- root/root 18271 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/toycar/in.toycar -rw-r--r-- root/root 50758 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/toycar/log.09Mar22.toycar.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/translocation/ -rw-r--r-- root/root 37735 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/translocation/data.translocation -rw-r--r-- root/root 9324 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/translocation/in.translocation -rw-r--r-- root/root 65632 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/latboltz/translocation/log.09Mar22.translocation.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/ -rw-r--r-- root/root 86020 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.data -rw-r--r-- root/root 30396 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.localdensity.table -rw-r--r-- root/root 86190 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/benzene_water.pair.table -rw-r--r-- root/root 1911 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/in.benzene_water -rw-r--r-- root/root 16370 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/log.27Oct21.benzene_water.g++.1 -rw-r--r-- root/root 16263 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/benzene_water/log.27Oct21.benzene_water.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/ -rw-r--r-- root/root 1879 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/in.methanol_implicit_water -rw-r--r-- root/root 10562 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/log.27Oct21.methanol_implicit_water.g++.1 -rw-r--r-- root/root 10563 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/log.27Oct21.methanol_implicit_water.g++.4 -rw-r--r-- root/root 155402 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.data -rw-r--r-- root/root 7627 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.localdensity.table -rw-r--r-- root/root 42100 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/local_density/methanol_implicit_water/methanol_implicit_water.pair.table drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/ -rw-r--r-- root/root 394 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/aluminum_strip_pull/ -rw-r--r-- root/root 7000 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/aluminum_strip_pull/in.aluminum_strip_pull -rw-r--r-- root/root 17428 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/aluminum_strip_pull/log.9Oct20.aluminum_strip_pull.g++.1 -rw-r--r-- root/root 17429 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/aluminum_strip_pull/log.9Oct20.aluminum_strip_pull.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/fluid_structure_interaction/ -rw-r--r-- root/root 7992 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/fluid_structure_interaction/in.fluid_structure_interaction -rw-r--r-- root/root 23243 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/fluid_structure_interaction/log.9Oct20.fluid_structure_interaction.g++.1 -rw-r--r-- root/root 23243 2024-02-13 23:51 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./usr/share/lammps/examples/PACKAGES/machdyn/rubber_rings_3d/log.9Oct20.rubber_rings_3d.g++.1 -rw-r--r-- root/root 15933 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_rings_3d/log.9Oct20.rubber_rings_3d.g++.4 -rw-r--r-- root/root 59482 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_rings_3d/washer_hex_adjusted.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/ -rw-r--r-- root/root 5583 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/in.rubber_strip_pull -rw-r--r-- root/root 10488 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/log.9Oct20.rubber_strip_pull.g++.1 -rw-r--r-- root/root 10489 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/log.9Oct20.rubber_strip_pull.g++.4 -rw-r--r-- root/root 312 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/machdyn/rubber_strip_pull/plot.gpl drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/ -rw-r--r-- root/root 218 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/README -rw-r--r-- root/root 316722 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.cyl.data -rw-r--r-- root/root 681 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.cyl.in -rw-r--r-- root/root 145018 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.pdf -rw-r--r-- root/root 72908 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.plane.data -rw-r--r-- root/root 589 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.plane.in -rw-r--r-- root/root 66059 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.sphere.data -rw-r--r-- root/root 614 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd.sphere.in -rw-r--r-- root/root 66627 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/msd_plot2.pdf -rw-r--r-- root/root 1985 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/diffusion/plot_msd.gpl drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/manifold/energy/ -rw-r--r-- root/root 229 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/README -rw-r--r-- root/root 78712 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/cylinder.data -rw-r--r-- root/root 77 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/cylinder.setup -rw-r--r-- root/root 594 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/energy.in -rw-r--r-- root/root 481 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/energy.plane.in -rw-r--r-- root/root 1116 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/energy.sh -rw-r--r-- root/root 1023627 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/energy_conservation.pdf -rw-r--r-- root/root 60570 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/manifold/energy/energy_conservation.png -rw-r--r-- root/root 78165 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/plane.anneal.data -rw-r--r-- root/root 78139 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/plane.data -rw-r--r-- root/root 2766 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/plot_energies.gpl -rw-r--r-- root/root 78571 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/sphere.data -rw-r--r-- root/root 76 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/sphere.setup -rw-r--r-- root/root 78545 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/torus.data -rw-r--r-- root/root 79 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/energy/torus.setup drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/thylakoid/ -rw-r--r-- root/root 237 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/thylakoid/README -rw-r--r-- root/root 633205 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/thylakoid/thylakoid.data -rw-r--r-- root/root 712 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/thylakoid/thylakoid.in drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/virus/ -rw-r--r-- root/root 110 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/virus/README -rw-r--r-- root/root 15831 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/virus/init.data -rw-r--r-- root/root 1478 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manifold/virus/vir.in drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/ -rw-r--r-- root/root 160583 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/1-1-1.table -rw-r--r-- root/root 287932 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/1-1-2.table -rw-r--r-- root/root 2988 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/README -rw-r--r-- root/root 23766 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/data.spce -rw-r--r-- root/root 23776 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/data.spce2 -rw-r--r-- root/root 535 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/in.spce -rw-r--r-- root/root 547 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/in.spce2 -rw-r--r-- root/root 476 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/in.spce_sw -rw-r--r-- root/root 3662 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce.g++.1 -rw-r--r-- root/root 3660 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce.g++.4 -rw-r--r-- root/root 3674 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce2.g++.1 -rw-r--r-- root/root 3672 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce2.g++.4 -rw-r--r-- root/root 3602 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce_sw.g++.1 -rw-r--r-- root/root 3600 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/log.1Jun22.spce_sw.g++.4 -rw-r--r-- root/root 61 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/spce.3b -rw-r--r-- root/root 320 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/spce.sw -rw-r--r-- root/root 519 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/spce2.3b -rw-r--r-- root/root 67688 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/table_CG_CG.txt -rw-r--r-- root/root 48957 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/manybody_table/table_CG_CG_CG.txt drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/meam_spline/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/meam_spline/Si_1.meam.spline -> ../../../potentials/Si_1.meam.spline lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/meam_spline/TiO.meam.spline -> ../../../potentials/TiO.meam.spline -rw-r--r-- root/root 425 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/in.meam-spline.Si -rw-r--r-- root/root 2414 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/in.meam-spline.TiO2 -rw-r--r-- root/root 3813 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.Si.g++.1 -rw-r--r-- root/root 3815 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.Si.g++.4 -rw-r--r-- root/root 14226 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.TiO2.g++.1 -rw-r--r-- root/root 14231 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_spline/log.17Dec2022.meam-spline.TiO2.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/Si.b.meam.sw.spline -> ../../../../potentials/Si.b.meam.sw.spline -rw-r--r-- root/root 996 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.bcc -rw-r--r-- root/root 1104 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.bcc_relax -rw-r--r-- root/root 1004 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.dc -rw-r--r-- root/root 1108 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.dc_relax -rw-r--r-- root/root 873 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.energy_conservation.meam.sw -rw-r--r-- root/root 1002 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.fcc -rw-r--r-- root/root 1118 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.fcc_relax -rw-r--r-- root/root 1511 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.hcp_relax -rw-r--r-- root/root 998 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.sc -rw-r--r-- root/root 1103 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.sc_relax -rw-r--r-- root/root 769 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/in.single_atom -rw-r--r-- root/root 3847 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc.g++.1 -rw-r--r-- root/root 3942 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc.g++.4 -rw-r--r-- root/root 347195 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc_relax.g++.1 -rw-r--r-- root/root 889817 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.bcc_relax.g++.4 -rw-r--r-- root/root 3855 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc.g++.1 -rw-r--r-- root/root 3856 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc.g++.4 -rw-r--r-- root/root 1025753 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc_relax.g++.1 -rw-r--r-- root/root 1025757 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.dc_relax.g++.4 -rw-r--r-- root/root 23849 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.energy_conservation.meam.sw.g++.1 -rw-r--r-- root/root 23849 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.energy_conservation.meam.sw.g++.4 -rw-r--r-- root/root 3856 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc.g++.1 -rw-r--r-- root/root 3857 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc.g++.4 -rw-r--r-- root/root 48656 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc_relax.g++.1 -rw-r--r-- root/root 1025810 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.fcc_relax.g++.4 -rw-r--r-- root/root 1026279 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.hcp_relax.g++.1 -rw-r--r-- root/root 145315 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.hcp_relax.g++.4 -rw-r--r-- root/root 3848 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc.g++.1 -rw-r--r-- root/root 3941 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc.g++.4 -rw-r--r-- root/root 440191 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc_relax.g++.1 -rw-r--r-- root/root 440380 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.sc_relax.g++.4 -rw-r--r-- root/root 3429 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.single_atom.g++.1 -rw-r--r-- root/root 3429 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Si/log.17Dec2022.single_atom.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/Ti.meam.sw.spline -> ../../../../potentials/Ti.meam.sw.spline -rw-r--r-- root/root 857 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.alpha -rw-r--r-- root/root 1434 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.alpha_relaxation -rw-r--r-- root/root 742 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.beta -rw-r--r-- root/root 2055 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.energy_conservation.meam.sw -rw-r--r-- root/root 736 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.fcc -rw-r--r-- root/root 821 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.hexagonal -rw-r--r-- root/root 866 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.omega -rw-r--r-- root/root 766 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/in.single_atom -rw-r--r-- root/root 3609 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha.g++.1 -rw-r--r-- root/root 3610 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha.g++.4 -rw-r--r-- root/root 355306 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha_relaxation.g++.1 -rw-r--r-- root/root 112551 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.alpha_relaxation.g++.4 -rw-r--r-- root/root 3484 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.beta.g++.1 -rw-r--r-- root/root 3578 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.beta.g++.4 -rw-r--r-- root/root 32109 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.energy_conservation.meam.sw.g++.1 -rw-r--r-- root/root 32097 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.energy_conservation.meam.sw.g++.4 -rw-r--r-- root/root 3485 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.fcc.g++.1 -rw-r--r-- root/root 3487 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.fcc.g++.4 -rw-r--r-- root/root 3577 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.hexagonal.g++.1 -rw-r--r-- root/root 3671 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.hexagonal.g++.4 -rw-r--r-- root/root 3625 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.omega.g++.1 -rw-r--r-- root/root 3621 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.omega.g++.4 -rw-r--r-- root/root 3424 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.single_atom.g++.1 -rw-r--r-- root/root 3422 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/meam_sw_spline/Ti/log.17Dec2022.single_atom.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/mesont/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/mesont/C_10_10.mesocnt -> ../../../potentials/C_10_10.mesocnt -rw-r--r-- root/root 305 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mesont/README -rw-r--r-- root/root 6753557 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mesont/data.film_mesocnt -rw-r--r-- root/root 1145 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mesont/in.film_mesocnt -rw-r--r-- root/root 5080 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mesont/log.31Aug2022.film_mesocnt.g++.1 -rw-r--r-- root/root 5081 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mesont/log.31Aug2022.film_mesocnt.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/ -rw-r--r-- root/root 3005 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.README -rw-r--r-- root/root 72 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.parmin -rw-r--r-- root/root 575018 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/Ta6.8x.mgpt.potin -rw-r--r-- root/root 1904 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/in.bcc0 -rw-r--r-- root/root 2268 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/in.vac0-bcc -rw-r--r-- root/root 2165 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/in.vacmin-bcc -rw-r--r-- root/root 4889 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.bcc0.g++.1 -rw-r--r-- root/root 4891 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.bcc0.g++.4 -rw-r--r-- root/root 5346 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mgpt/log.7Feb24.vac0-bcc.g++.1 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root/root 1491 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/momentum/in.momentum drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/ -rw-r--r-- root/root 190771 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/data.mop -rw-r--r-- root/root 1060 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/in.compute_stress_mop -rw-r--r-- root/root 3768 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/log.5Sep18.compute_stress_mop.g++.1 -rw-r--r-- root/root 3767 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/log.5Sep18.compute_stress_mop.g++.4 -rw-r--r-- root/root 8209 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/moppz.time.reference -rw-r--r-- root/root 168 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/mop/mopz0.time.reference drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/orient_eco/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/orient_eco/Ni_u3.eam -> ../../../potentials/Ni_u3.eam -rw-r--r-- root/root 2127895 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/data.sigma5 -rw-r--r-- root/root 507 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/in.orient_eco -rw-r--r-- root/root 3647 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/log.2Jun2020.orent_eco.g++.1 -rw-r--r-- root/root 3611 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/log.2Jun2020.orent_eco.g++.4 -rw-r--r-- root/root 161 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/orient_eco/sigma5.ori drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/pace/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/pace/Cu-PBE-core-rep.ace -> ../../../potentials/Cu-PBE-core-rep.ace -rw-r--r-- root/root 413 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pace/README.md drwxr-xr-x root/root 0 2024-02-13 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root/root 88222 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pafi/pafipath.4.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/ -rw-r--r-- root/root 1754 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/README -rw-r--r-- root/root 1387 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/data.pos -rw-r--r-- root/root 485 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/disp.dat -rw-r--r-- root/root 1020 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/in.Ana -rw-r--r-- root/root 43 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/in.disp -rw-r--r-- root/root 982458 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/phonon/1-1D-mono/log.lammps -rw-r--r-- root/root 212 2024-02-13 23:51 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root/root 5733 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta/log.4Jan23.fitpod.g++.1 -rw-r--r-- root/root 5733 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta/log.4Jan23.fitpod.g++.4 -rw-r--r-- root/root 5048 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta/log.4Jan23.pod.g++.1 -rw-r--r-- root/root 5051 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta/log.4Jan23.pod.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/ -rw-r--r-- root/root 2024 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/Ta_coefficients.pod -rw-r--r-- root/root 466 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/Ta_data.pod -rw-r--r-- root/root 713 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/Ta_param.pod -rw-r--r-- root/root 44392 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/Ta_training_analysis.pod -rw-r--r-- root/root 1965 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/Ta_training_errors.pod -rw-r--r-- root/root 85 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/in.fitpod -rw-r--r-- root/root 783 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/in.pod -rw-r--r-- root/root 5750 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/log.4Jan23.fitpod.g++.1 -rw-r--r-- root/root 5750 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/log.4Jan23.fitpod.g++.4 -rw-r--r-- root/root 5058 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/log.4Jan23.pod.g++.1 -rw-r--r-- root/root 5062 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/pod/Ta_Quadratic/log.4Jan23.pod.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ptm/ -rw-r--r-- root/root 1566 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/ptm/ptm_example.in drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/ -rw-r--r-- root/root 372 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/ -rw-r--r-- root/root 1092 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/alpha_quartz_potential.mod -rw-r--r-- root/root 3277 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/alpha_quartz_qtb.mod -rw-r--r-- root/root 4726 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/in.alpha_quartz_qbmsst -rw-r--r-- root/root 29535 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/log.09Feb21.alpha_quartz_qbmsst.g++.1 -rw-r--r-- root/root 29537 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/qtb/alpha_quartz_qbmsst/log.09Feb21.alpha_quartz_qbmsst.g++.4 -rw-r--r-- root/root 1944659 2024-02-13 23:51 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root/root 2600 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/data_gap -rw-r--r-- root/root 579 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/data_sw -rw-r--r-- root/root 55736 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/gap_example.xml -rw-r--r-- root/root 695652 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/gap_example_sparse.dat -rw-r--r-- root/root 344 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/in.gap -rw-r--r-- root/root 1508 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/in.molecular -rw-r--r-- root/root 337 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/in.sw -rw-r--r-- root/root 2515 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.gap.g++.1 -rw-r--r-- root/root 2511 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.gap.g++.4 -rw-r--r-- root/root 5236 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/quip/log.24Jul17.molecular.g++.1 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./usr/share/lammps/examples/PACKAGES/rann/log.22Jun21.rann.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/ -rw-r--r-- root/root 344 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene.map -rw-r--r-- root/root 15741 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene_post.molecule_template -rw-r--r-- root/root 9966 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/grow_styrene_pre.molecule_template -rw-r--r-- root/root 1020 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/in.grow_styrene -rw-r--r-- root/root 11312 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/log.4Nov2022.grow_styrene.g++.1 -rw-r--r-- root/root 11317 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/log.4Nov2022.grow_styrene.g++.4 -rw-r--r-- root/root 22564 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/create_atoms_polystyrene/trimer.data drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/ -rw-r--r-- root/root 1384 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/in.large_nylon_melt -rw-r--r-- root/root 3777701 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/large_nylon_melt.data.gz -rw-r--r-- root/root 7109 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/log.4Nov2022.large_nylon_melt.g++.1 -rw-r--r-- root/root 7108 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/log.4Nov2022.large_nylon_melt.g++.4 -rw-r--r-- root/root 202 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_map -rw-r--r-- root/root 5455 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_reacted.molecule_template -rw-r--r-- root/root 4580 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp1_unreacted.molecule_template -rw-r--r-- root/root 183 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp2_map -rw-r--r-- root/root 3637 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp2_reacted.molecule_template -rw-r--r-- root/root 4426 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/nylon,6-6_melt/rxn1_stp2_unreacted.molecule_template drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/ -rw-r--r-- root/root 1187 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/in.tiny_epoxy.stabilized -rw-r--r-- root/root 9809 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/log.4Nov2022.tiny_epoxy.stabilized.g++.1 -rw-r--r-- root/root 9808 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/log.4Nov2022.tiny_epoxy.stabilized.g++.4 -rw-r--r-- root/root 271 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1.map -rw-r--r-- root/root 9730 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1_post.molecule_template -rw-r--r-- root/root 9379 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp1_pre.molecule_template -rw-r--r-- root/root 271 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp2.map -rw-r--r-- root/root 9571 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn1_stp2_post.molecule_template -rw-r--r-- root/root 349 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1.map -rw-r--r-- root/root 13427 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1_post.molecule_template -rw-r--r-- root/root 12926 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp1_pre.molecule_template -rw-r--r-- root/root 349 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp2.map -rw-r--r-- root/root 13160 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/rxn2_stp2_post.molecule_template -rw-r--r-- root/root 47356 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_epoxy/tiny_epoxy.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/ -rw-r--r-- root/root 1374 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized -rw-r--r-- root/root 1548 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.stabilized_variable_probability -rw-r--r-- root/root 1147 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/in.tiny_nylon.unstabilized -rw-r--r-- root/root 24139 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized.g++.1 -rw-r--r-- root/root 24140 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized.g++.4 -rw-r--r-- root/root 9322 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized_variable_probability.g++.1 -rw-r--r-- root/root 9321 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.stabilized_variable_probability.g++.4 -rw-r--r-- root/root 8211 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_nylon/log.4Nov2020.tiny_nylon.unstabilized.g++.1 -rw-r--r-- root/root 8211 2024-02-13 23:51 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drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/ -rw-r--r-- root/root 255 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_map -rw-r--r-- root/root 10637 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_reacted.molecule_template -rw-r--r-- root/root 9831 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/2styrene_unreacted.molecule_template -rw-r--r-- root/root 380 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_map -rw-r--r-- root/root 17105 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_reacted.molecule_template -rw-r--r-- root/root 16153 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_chain_unreacted.molecule_template -rw-r--r-- root/root 353 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_map -rw-r--r-- root/root 15660 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_reacted.molecule_template -rw-r--r-- root/root 14781 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/chain_plus_styrene_unreacted.molecule_template -rw-r--r-- root/root 1398 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/in.tiny_polystyrene.stabilized -rw-r--r-- root/root 17568 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/log.4Nov19.tiny_polystyrene.stabilized.g++.4 -rw-r--r-- root/root 17570 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/log.4Nov2020.tiny_polystyrene.stabilized.g++.1 -rw-r--r-- root/root 114784 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/reaction/tiny_polystyrene/tiny_polystyrene.data drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/ -rw-r--r-- root/root 2935 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/README.md -rw-r--r-- root/root 854 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/in.crystal -rw-r--r-- root/root 806 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/in.pinning -rw-r--r-- root/root 919 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/in.setup -rw-r--r-- root/root 8996 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.crystal.g++.1 -rw-r--r-- root/root 8996 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.crystal.g++.4 -rw-r--r-- root/root 14223 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.pinning.g++.1 -rw-r--r-- root/root 14224 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.pinning.g++.4 -rw-r--r-- root/root 5955 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/rhok/log.22Sep2017.setup.g++.1 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root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/ -rw-r--r-- root/root 1439 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/AgCuPancake.data -rw-r--r-- root/root 117154 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/data.Alpha -rw-r--r-- root/root 1731 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/ffield.smtbq.Al -rw-r--r-- root/root 2899 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/ffield.smtbq.Al2O3 -rw-r--r-- root/root 2857 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/ffield.smtbq.TiO2 -rw-r--r-- root/root 931 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/in.smatbAgCuPancake -rw-r--r-- root/root 520 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/in.smatbBulkFCC -rw-r--r-- root/root 1785 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/in.smtbq.Al -rw-r--r-- root/root 1174 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/smtbq/in.smtbq.Al2O3 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0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/Zr_mm.eam.fs -> ../../../potentials/Zr_mm.eam.fs -rw-r--r-- root/root 69462 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/data.zr_cell drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/ -rw-r--r-- root/root 1880 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lda_scalings.dat -rw-r--r-- root/root 46 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lr_bias.dat -rw-r--r-- root/root 142 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/lr_decision.dat -rw-r--r-- root/root 384 2024-02-13 23:51 ./usr/share/lammps/examples/PACKAGES/sna_nnn_slcsa/dir.slcsa/mahalanobis_file.dat -rw-r--r-- root/root 649 2024-02-13 23:51 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./usr/share/lammps/examples/QUANTUM/README -rw-r--r-- root/root 9728 2024-02-13 23:51 ./usr/share/lammps/examples/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/ -rw-r--r-- root/root 1045 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/bfo/ -rw-r--r-- root/root 1469 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/bfo/in.spin.bfo -rw-r--r-- root/root 4808 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/bfo/log.14Apr20.spin.bfo.g++.1 -rw-r--r-- root/root 4806 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/bfo/log.14Apr20.spin.bfo.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/ -rw-r--r-- root/root 679618 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/Co_PurjaPun_2012.eam.alloy drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/exchange_fit_fcc_co/ -rw-r--r-- root/root 75 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/exchange_fit_fcc_co/exchange_fcc_cobalt.dat -rw-r--r-- root/root 886 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/exchange_fit_fcc_co/exchange_fit.py -rw-r--r-- root/root 1541 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc -rw-r--r-- root/root 6323 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/log.14Apr20.spin.cobalt_fcc.g++.1 -rw-r--r-- root/root 6317 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_fcc/log.14Apr20.spin.cobalt_fcc.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/SPIN/cobalt_hcp/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/SPIN/cobalt_hcp/Co_PurjaPun_2012.eam.alloy -> ../cobalt_fcc/Co_PurjaPun_2012.eam.alloy drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/exchange_fit_hcp_co/ -rw-r--r-- root/root 882 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/exchange_fit_hcp_co/exchange_fit.py -rw-r--r-- root/root 334 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/exchange_fit_hcp_co/exchange_hcp_co.dat -rw-r--r-- root/root 1596 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp -rw-r--r-- root/root 6115 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/log.14Apr20.spin.cobalt_hcp.g++.1 -rw-r--r-- root/root 6114 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/cobalt_hcp/log.14Apr20.spin.cobalt_hcp.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/SPIN/dipole_spin/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/SPIN/dipole_spin/Fe_Mishin2006.eam.alloy -> ../iron/Fe_Mishin2006.eam.alloy drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/ -rw-r--r-- root/root 83 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_bcc_iron.dat -rw-r--r-- root/root 884 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/exchange_fit_bcc_iron/exchange_fit.py -rw-r--r-- root/root 1103 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/fe_dd.dat -rw-r--r-- root/root 1587 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_cut -rw-r--r-- root/root 1624 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_ewald -rw-r--r-- root/root 1650 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/in.spin.iron_dipole_pppm -rw-r--r-- root/root 4529 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_cut.g++.1 -rw-r--r-- root/root 4524 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_cut.g++.4 -rw-r--r-- root/root 4970 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_ewald.g++.1 -rw-r--r-- root/root 4964 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_ewald.g++.4 -rw-r--r-- root/root 4941 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_pppm.g++.1 -rw-r--r-- root/root 4933 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/dipole_spin/log.14Apr20.spin.iron_dipole_pppm.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/ -rw-r--r-- root/root 381 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/iron/ -rw-r--r-- root/root 5275 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/iron/final.iron_spin -rw-r--r-- root/root 1335 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/iron/in.gneb.iron -rw-r--r-- root/root 8090 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/iron/initial.iron_spin drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/skyrmion/ -rw-r--r-- root/root 13336 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/skyrmion/final.skyrmion -rw-r--r-- root/root 1360 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/skyrmion/in.gneb.skyrmion -rw-r--r-- root/root 98928 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/gneb/skyrmion/initial.skyrmion drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/ -rw-r--r-- root/root 353249 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/Fe_Mishin2006.eam.alloy drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/exchange_fit_bcc_iron/ -rw-r--r-- root/root 83 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/exchange_fit_bcc_iron/exchange_bcc_iron.dat -rw-r--r-- root/root 884 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/exchange_fit_bcc_iron/exchange_fit.py -rw-r--r-- root/root 1103 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/fe_dd.dat -rw-r--r-- root/root 1456 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/in.spin.iron -rw-r--r-- root/root 1679 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/in.spin.iron_cubic -rw-r--r-- root/root 6522 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron.g++.1 -rw-r--r-- root/root 6527 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron.g++.4 -rw-r--r-- root/root 6704 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron_cubic.g++.1 -rw-r--r-- root/root 6706 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/iron/log.14Apr20.spin.iron_cubic.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/nickel/ -rw-r--r-- root/root 780452 2024-02-13 23:51 ./usr/share/lammps/examples/SPIN/nickel/Ni99.eam.alloy drwxr-xr-x root/root 0 2024-02-13 23:51 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./usr/share/lammps/examples/balance/log.3Nov23.balance.var.dynamic.g++.2 -rw-r--r-- root/root 13519 2024-02-13 23:51 ./usr/share/lammps/examples/balance/log.3Nov23.balance.var.dynamic.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/body/ -rw-r--r-- root/root 15728 2024-02-13 23:51 ./usr/share/lammps/examples/body/data.body -rw-r--r-- root/root 592 2024-02-13 23:51 ./usr/share/lammps/examples/body/data.cubes -rw-r--r-- root/root 302 2024-02-13 23:51 ./usr/share/lammps/examples/body/data.squares -rw-r--r-- root/root 620 2024-02-13 23:51 ./usr/share/lammps/examples/body/in.body -rw-r--r-- root/root 1192 2024-02-13 23:51 ./usr/share/lammps/examples/body/in.cubes -rw-r--r-- root/root 1476 2024-02-13 23:51 ./usr/share/lammps/examples/body/in.pour3d -rw-r--r-- root/root 1338 2024-02-13 23:51 ./usr/share/lammps/examples/body/in.squares -rw-r--r-- root/root 1398 2024-02-13 23:51 ./usr/share/lammps/examples/body/in.wall2d -rw-r--r-- root/root 11475 2024-02-13 23:51 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2024-02-13 23:51 ./usr/share/lammps/examples/body/molecule.cube -rw-r--r-- root/root 173 2024-02-13 23:51 ./usr/share/lammps/examples/body/molecule.point3d -rw-r--r-- root/root 179 2024-02-13 23:51 ./usr/share/lammps/examples/body/molecule.rod3d -rw-r--r-- root/root 286 2024-02-13 23:51 ./usr/share/lammps/examples/body/molecule.tetra drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/ drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/ -rw-r--r-- root/root 61211 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/brokenDump -rw-r--r-- root/root 1632 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/in.bpm.impact.rotational -rw-r--r-- root/root 1516 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/in.bpm.impact.spring -rw-r--r-- root/root 12409 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/log.17Feb2022.impact.spring.g++.4 -rw-r--r-- root/root 13346 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/impact/log.4May2022.impact.rotational.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/pour/ -rw-r--r-- root/root 1634 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/pour/in.bpm.pour -rw-r--r-- root/root 105939 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/pour/log.4May2022.pour.g++.4 -rw-r--r-- root/root 7458 2024-02-13 23:51 ./usr/share/lammps/examples/bpm/pour/rect.mol drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/ -rw-r--r-- root/root 34339 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/charmm22.cmap -rw-r--r-- root/root 24188 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/gagg.data -rw-r--r-- root/root 836 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/in.cmap -rw-r--r-- root/root 13558 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/log.27Nov18.cmap.g++.1 -rw-r--r-- root/root 13563 2024-02-13 23:51 ./usr/share/lammps/examples/cmap/log.27Nov18.cmap.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/colloid/ -rw-r--r-- root/root 1066 2024-02-13 23:51 ./usr/share/lammps/examples/colloid/in.colloid -rw-r--r-- root/root 6865 2024-02-13 23:51 ./usr/share/lammps/examples/colloid/log.27Nov18.colloid.g++.1 -rw-r--r-- root/root 6869 2024-02-13 23:51 ./usr/share/lammps/examples/colloid/log.27Nov18.colloid.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/comb/ -rw-r--r-- root/root 826 2024-02-13 23:51 ./usr/share/lammps/examples/comb/README -rw-r--r-- root/root 87263 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.Cu2O -rw-r--r-- root/root 309972 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.CuaS -rw-r--r-- root/root 103964 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.c-HfO2 -rw-r--r-- root/root 56197 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.comb3-OHCCu -rw-r--r-- root/root 103964 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.m-HfO2 -rw-r--r-- root/root 103964 2024-02-13 23:51 ./usr/share/lammps/examples/comb/data.t-HfO2 -rw-r--r-- root/root 5995 2024-02-13 23:51 ./usr/share/lammps/examples/comb/elastic.f90 lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/comb/ffield.comb -> ../../potentials/ffield.comb lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/comb/ffield.comb3 -> ../../potentials/ffield.comb3 -rw-r--r-- root/root 869 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb.Cu -rw-r--r-- root/root 2615 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb.Cu2O.elastic -rw-r--r-- root/root 1340 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb.HfO2 -rw-r--r-- root/root 865 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb.Si -rw-r--r-- root/root 2268 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb.Si.elastic -rw-r--r-- root/root 739 2024-02-13 23:51 ./usr/share/lammps/examples/comb/in.comb3 -rw-r--r-- root/root 2496835 2024-02-13 23:51 ./usr/share/lammps/examples/comb/lib.comb3 -rw-r--r-- root/root 4505 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Cu.g++.1 -rw-r--r-- root/root 4500 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Cu.g++.4 -rw-r--r-- root/root 24524 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.1 -rw-r--r-- root/root 24506 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Cu2O.elastic.g++.4 -rw-r--r-- root/root 11264 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.HfO2.g++.1 -rw-r--r-- root/root 11191 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.HfO2.g++.4 -rw-r--r-- root/root 19056 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Si.elastic.g++.1 -rw-r--r-- root/root 18925 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Si.elastic.g++.4 -rw-r--r-- root/root 4498 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Si.g++.1 -rw-r--r-- root/root 4493 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb.Si.g++.4 -rw-r--r-- root/root 4247 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb3.g++.1 -rw-r--r-- root/root 4246 2024-02-13 23:51 ./usr/share/lammps/examples/comb/log.27Nov18.comb3.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/controller/ -rw-r--r-- root/root 864 2024-02-13 23:51 ./usr/share/lammps/examples/controller/in.controller.temp -rw-r--r-- root/root 1215 2024-02-13 23:51 ./usr/share/lammps/examples/controller/in.controller.wall -rw-r--r-- root/root 8490 2024-02-13 23:51 ./usr/share/lammps/examples/controller/log.27Nov18.controller.temp.g++.1 -rw-r--r-- root/root 8495 2024-02-13 23:51 ./usr/share/lammps/examples/controller/log.27Nov18.controller.temp.g++.4 -rw-r--r-- root/root 5897 2024-02-13 23:51 ./usr/share/lammps/examples/controller/log.27Nov18.controller.wall.g++.1 -rw-r--r-- root/root 5894 2024-02-13 23:51 ./usr/share/lammps/examples/controller/log.27Nov18.controller.wall.g++.2 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/ -rw-r--r-- root/root 38803 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/data.coreshell -rw-r--r-- root/root 2027 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/in.coreshell -rw-r--r-- root/root 1842 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/in.coreshell.dsf -rw-r--r-- root/root 2352 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/in.coreshell.thermostats -rw-r--r-- root/root 1895 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/in.coreshell.wolf -rw-r--r-- root/root 10997 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.dsf.g++.1 -rw-r--r-- root/root 11006 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.dsf.g++.4 -rw-r--r-- root/root 12288 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.g++.1 -rw-r--r-- root/root 12290 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.g++.4 -rw-r--r-- root/root 16248 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.1 -rw-r--r-- root/root 16253 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.thermostats.g++.4 -rw-r--r-- root/root 11051 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.wolf.g++.1 -rw-r--r-- root/root 11063 2024-02-13 23:51 ./usr/share/lammps/examples/coreshell/log.27Nov18.coreshell.wolf.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/crack/ -rw-r--r-- root/root 1395 2024-02-13 23:51 ./usr/share/lammps/examples/crack/in.crack -rw-r--r-- root/root 5886 2024-02-13 23:51 ./usr/share/lammps/examples/crack/log.27Nov18.crack.g++.1 -rw-r--r-- root/root 5896 2024-02-13 23:51 ./usr/share/lammps/examples/crack/log.27Nov18.crack.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/ -rw-r--r-- root/root 1149 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.atom -rw-r--r-- root/root 1307 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.molecule -rw-r--r-- root/root 1343 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-nve-small -rw-r--r-- root/root 1360 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-nvt-small -rw-r--r-- root/root 1339 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.molecule.rigid-small -rw-r--r-- root/root 1374 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/in.deposit.molecule.shake -rw-r--r-- root/root 11077 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nve-small.g++.1 -rw-r--r-- root/root 11077 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nve-small.g++.4 -rw-r--r-- root/root 11094 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nvt-small.g++.1 -rw-r--r-- root/root 11094 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-nvt-small.g++.4 -rw-r--r-- root/root 11073 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-small.g++.1 -rw-r--r-- root/root 11073 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.10Mar21.deposit.molecule.rigid-small.g++.4 -rw-r--r-- root/root 10281 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.atom.g++.1 -rw-r--r-- root/root 10283 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.atom.g++.4 -rw-r--r-- root/root 10684 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.g++.1 -rw-r--r-- root/root 10683 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.g++.4 -rw-r--r-- root/root 11499 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.1 -rw-r--r-- root/root 11502 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/log.27Nov18.deposit.molecule.shake.g++.4 -rw-r--r-- root/root 153 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/molecule.dimer -rw-r--r-- root/root 229 2024-02-13 23:51 ./usr/share/lammps/examples/deposit/molecule.dimer.shake drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/dipole/ -rw-r--r-- root/root 774 2024-02-13 23:51 ./usr/share/lammps/examples/dipole/in.dipole -rw-r--r-- root/root 4264 2024-02-13 23:51 ./usr/share/lammps/examples/dipole/log.27Nov18.dipole.g++.1 -rw-r--r-- root/root 4262 2024-02-13 23:51 ./usr/share/lammps/examples/dipole/log.27Nov18.dipole.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/ -rw-r--r-- root/root 212 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/README -rw-r--r-- root/root 40297 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/ch3oh.box.dreiding.bgf -rw-r--r-- root/root 2522 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/ch3oh.box.dreiding.cerius2.eng.dat -rw-r--r-- root/root 77365 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/data.dreiding -rw-r--r-- root/root 1930 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/in.dreiding -rw-r--r-- root/root 10236 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/log.27Nov18.dreiding.g++.1 -rw-r--r-- root/root 10238 2024-02-13 23:51 ./usr/share/lammps/examples/dreiding/log.27Nov18.dreiding.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/eim/ -rw-r--r-- root/root 119292 2024-02-13 23:51 ./usr/share/lammps/examples/eim/data.eim lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/eim/ffield.eim -> ../../potentials/ffield.eim -rw-r--r-- root/root 787 2024-02-13 23:51 ./usr/share/lammps/examples/eim/in.eim -rw-r--r-- root/root 3511 2024-02-13 23:51 ./usr/share/lammps/examples/eim/log.27Nov18.eim.g++.1 -rw-r--r-- root/root 3515 2024-02-13 23:51 ./usr/share/lammps/examples/eim/log.27Nov18.eim.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/ -rw-r--r-- root/root 1830 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/in.ellipse.gayberne -rw-r--r-- root/root 1926 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/in.ellipse.resquared -rw-r--r-- root/root 8051 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.1 -rw-r--r-- root/root 8052 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.gayberne.g++.4 -rw-r--r-- root/root 7958 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.resquared.g++.1 -rw-r--r-- root/root 7954 2024-02-13 23:51 ./usr/share/lammps/examples/ellipse/log.27Nov18.ellipse.resquared.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/fire/ -rw-r--r-- root/root 1734 2024-02-13 23:51 ./usr/share/lammps/examples/fire/FeTiC.meam -rw-r--r-- root/root 666 2024-02-13 23:51 ./usr/share/lammps/examples/fire/FeTiClibrary.meam -rw-r--r-- root/root 1035 2024-02-13 23:51 ./usr/share/lammps/examples/fire/README -rw-r--r-- root/root 782 2024-02-13 23:51 ./usr/share/lammps/examples/fire/Si.sw -rw-r--r-- root/root 78572 2024-02-13 23:51 ./usr/share/lammps/examples/fire/data.fe -rw-r--r-- root/root 212 2024-02-13 23:51 ./usr/share/lammps/examples/fire/final.sivac -rw-r--r-- root/root 1010 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.abcfire -rw-r--r-- root/root 1040 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.abcfire_mod -rw-r--r-- root/root 980 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.cg -rw-r--r-- root/root 982 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.fire -rw-r--r-- root/root 1028 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.fire_mod -rw-r--r-- root/root 424 2024-02-13 23:51 ./usr/share/lammps/examples/fire/in.meam.abcfire 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root/root 2325 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.mpi.1 -rw-r--r-- root/root 2325 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.mpi.4 -rw-r--r-- root/root 2325 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.plugin.1 -rw-r--r-- root/root 2324 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.plugin.3 -rw-r--r-- root/root 2325 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.tcp.1 -rw-r--r-- root/root 2325 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimd.engine.tcp.4 -rw-r--r-- root/root 4616 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.driver.mpi.1 -rw-r--r-- root/root 4615 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.driver.mpi.2 -rw-r--r-- root/root 750 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.aimdpy.driver.tcp.1 -rw-r--r-- root/root 750 2024-02-13 23:51 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7929 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.driver.plugin.3 -rw-r--r-- root/root 7425 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.driver.tcp.1 -rw-r--r-- root/root 7430 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.driver.tcp.3 -rw-r--r-- root/root 2349 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.mpi.1 -rw-r--r-- root/root 2349 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.mpi.4 -rw-r--r-- root/root 1383 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.plugin.1 -rw-r--r-- root/root 1383 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.plugin.3 -rw-r--r-- root/root 2349 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.tcp.1 -rw-r--r-- root/root 2349 2024-02-13 23:51 ./usr/share/lammps/examples/mdi/log.17Jun22.series.engine.tcp.4 -rw-r--r-- root/root 2947 2024-02-13 23:51 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./usr/share/lammps/examples/meam/in.meam.shear lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/meam/library.meam -> ../../potentials/library.meam -rw-r--r-- root/root 3441 2024-02-13 23:51 ./usr/share/lammps/examples/meam/log.27Nov18.meam.g++.1 -rw-r--r-- root/root 3437 2024-02-13 23:51 ./usr/share/lammps/examples/meam/log.27Nov18.meam.g++.4 -rw-r--r-- root/root 8486 2024-02-13 23:51 ./usr/share/lammps/examples/meam/log.27Nov18.meam.shear.g++.1 -rw-r--r-- root/root 8480 2024-02-13 23:51 ./usr/share/lammps/examples/meam/log.27Nov18.meam.shear.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/meam/msmeam/ -rw-r--r-- root/root 503 2024-02-13 23:51 ./usr/share/lammps/examples/meam/msmeam/HGa.meam -rw-r--r-- root/root 93 2024-02-13 23:51 ./usr/share/lammps/examples/meam/msmeam/README.md -rw-r--r-- root/root 762 2024-02-13 23:51 ./usr/share/lammps/examples/meam/msmeam/data.msmeam.bu -rw-r--r-- root/root 878 2024-02-13 23:51 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23:51 ./usr/share/lammps/examples/mesh/in.marble_race -rw-r--r-- root/root 1427 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/in.mesh_box -rw-r--r-- root/root 6878 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/log.11May22.marble_race.g++.1 -rw-r--r-- root/root 7101 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/log.11May22.marble_race.g++.4 -rw-r--r-- root/root 7441 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/log.11May22.mesh_box.g++.1 -rw-r--r-- root/root 7448 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/log.11May22.mesh_box.g++.4 -rw-r--r-- root/root 1919 2024-02-13 23:51 ./usr/share/lammps/examples/mesh/open_box.stl lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mesh/race_track.stl -> ../PACKAGES/machdyn/funnel_flow/boundary.stl drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/micelle/ -rw-r--r-- root/root 64444 2024-02-13 23:51 ./usr/share/lammps/examples/micelle/data.micelle -rw-r--r-- root/root 409 2024-02-13 23:51 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./usr/share/lammps/examples/min/log.27Nov18.min.box.g++.1 -rw-r--r-- root/root 30239 2024-02-13 23:51 ./usr/share/lammps/examples/min/log.27Nov18.min.box.g++.4 -rw-r--r-- root/root 5680 2024-02-13 23:51 ./usr/share/lammps/examples/min/log.27Nov18.min.g++.1 -rw-r--r-- root/root 5388 2024-02-13 23:51 ./usr/share/lammps/examples/min/log.27Nov18.min.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Cu.nn.mliap.model -> ../../potentials/Cu.nn.mliap.model lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Cu.snap.mliap.descriptor -> ../../potentials/Cu.snap.mliap.descriptor lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/InP_JCPA2020.mliap -> ../../potentials/InP_JCPA2020.mliap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/InP_JCPA2020.mliap.descriptor -> ../../potentials/InP_JCPA2020.mliap.descriptor lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/InP_JCPA2020.mliap.model -> ../../potentials/InP_JCPA2020.mliap.model -rw-r--r-- root/root 1034 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/Ni_Mo.data lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Ni_Mo.mliap.descriptor -> ../../potentials/Ni_Mo.mliap.descriptor lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Ni_Mo.mliap.model -> ../../potentials/Ni_Mo.mliap.model -rw-r--r-- root/root 5145 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/README lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Si.nn.mliap.descriptor -> ../../potentials/Si.nn.mliap.descriptor lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Si.nn.mliap.model -> ../../potentials/Si.nn.mliap.model lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Ta06A.mliap -> ../../potentials/Ta06A.mliap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Ta06A.mliap.descriptor -> ../../potentials/Ta06A.mliap.descriptor lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Ta06A.mliap.model -> ../../potentials/Ta06A.mliap.model lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Ta06A.nn.mliap -> ../../potentials/Ta06A.nn.mliap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Ta06A.nn.mliap.model -> ../../potentials/Ta06A.nn.mliap.model lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/Ta06A.pytorch.mliap -> ../../potentials/Ta06A.pytorch.mliap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/W.quadratic.mliap -> ../../potentials/W.quadratic.mliap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/W.quadratic.mliap.descriptor -> ../../potentials/W.quadratic.mliap.descriptor lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/W.quadratic.mliap.model -> ../../potentials/W.quadratic.mliap.model lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/WBe_Wood_PRB2019.mliap -> ../../potentials/WBe_Wood_PRB2019.mliap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/WBe_Wood_PRB2019.mliap.descriptor -> ../../potentials/WBe_Wood_PRB2019.mliap.descriptor lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/mliap/WBe_Wood_PRB2019.mliap.model -> ../../potentials/WBe_Wood_PRB2019.mliap.model -rw-r--r-- root/root 211 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/compute.mliap.descriptor -rw-r--r-- root/root 4029 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/compute.quadratic.gg0.dat -rw-r--r-- root/root 4029 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/compute.quadratic.gg1.dat -rw-r--r-- root/root 1000 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/compute.snap.gg0.dat -rw-r--r-- root/root 1000 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/compute.snap.gg1.dat -rw-r--r-- root/root 874 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/convert_mliap_Ta06A.py -rw-r--r-- root/root 1138 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.nn.Cu -rw-r--r-- root/root 1058 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.nn.Ta06A -rw-r--r-- root/root 1071 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.pytorch.Ta06A -rw-r--r-- root/root 1069 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.pytorch.relu1hidden -rw-r--r-- root/root 3138 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.quadratic.compute -rw-r--r-- root/root 1055 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.snap.Ta06A -rw-r--r-- root/root 1214 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.snap.WBe.PRB2019 -rw-r--r-- root/root 823 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.snap.chem -rw-r--r-- root/root 3083 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.snap.compute -rw-r--r-- root/root 1073 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.snap.quadratic -rw-r--r-- root/root 552 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.so3.Ni_Mo -rw-r--r-- root/root 1217 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.so3.nn.Si -rw-r--r-- root/root 1140 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/in.mliap.unified.lj.Ar drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/ -rw-r--r-- root/root 2608 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/README.md -rw-r--r-- root/root 262 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/deploy_script.py -rw-r--r-- root/root 825 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/in.run -rw-r--r-- root/root 234 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/mliap_jax.pkl -rw-r--r-- root/root 1910 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/mliap_unified_jax.py -rw-r--r-- root/root 181 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/mliap_unified_jax_Ar.pkl -rw-r--r-- root/root 2236 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/mliap_unified_jax_kokkos.py -rw-r--r-- root/root 2748 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/jax/write_unified.py -rw-r--r-- root/root 10589 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.03Jul20.mliap.quadratic.compute.g++.1 -rw-r--r-- root/root 10765 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.03Jul20.mliap.quadratic.compute.g++.4 -rw-r--r-- root/root 10518 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.03Jul20.mliap.snap.compute.g++.1 -rw-r--r-- root/root 10698 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.03Jul20.mliap.snap.compute.g++.4 -rw-r--r-- root/root 5644 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.04Dec20.mliap.pytorch.Ta06A.g++.1 -rw-r--r-- root/root 5646 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.04Dec20.mliap.pytorch.Ta06A.g++.4 -rw-r--r-- root/root 4711 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.1 -rw-r--r-- root/root 4710 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Cu.g++.4 -rw-r--r-- root/root 5587 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.1 -rw-r--r-- root/root 5589 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.nn.Ta06A.g++.4 -rw-r--r-- root/root 3110 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.1 -rw-r--r-- root/root 3113 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.Ni_Mo.g++.4 -rw-r--r-- root/root 4489 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.1 -rw-r--r-- root/root 4488 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.14Jun21.mliap.so3.nn.Si.g++.4 -rw-r--r-- root/root 5450 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.Ta06A.g++.1 -rw-r--r-- root/root 5445 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.Ta06A.g++.4 -rw-r--r-- root/root 6064 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.WBe.PRB2019.g++.1 -rw-r--r-- root/root 6059 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.WBe.PRB2019.g++.4 -rw-r--r-- root/root 5524 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.chem.g++.1 -rw-r--r-- root/root 5526 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.chem.g++.4 -rw-r--r-- root/root 5174 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.quadratic.g++.1 -rw-r--r-- root/root 5171 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.21Jun20.mliap.snap.quadratic.g++.4 -rw-r--r-- root/root 3871 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.23Sep22.mliap.unified.lj.Ar.g++.1 -rw-r--r-- root/root 3875 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/log.23Sep22.mliap.unified.lj.Ar.g++.4 -rw-r--r-- root/root 2344 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/mliap_numpy_Ta06A.py -rw-r--r-- root/root 2751 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/mliap_pytorch_Ta06A.py -rw-r--r-- root/root 2851 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/mliap_pytorch_Ta06A_kokkos.py -rw-r--r-- root/root 1626 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/mliap_unified_lj_Ar.py -rw-r--r-- root/root 572 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/relu1hidden.mliap.pytorch -rw-r--r-- root/root 11506 2024-02-13 23:51 ./usr/share/lammps/examples/mliap/relu1hidden.mliap.pytorch.model.pt drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/msst/ -rw-r--r-- root/root 1159 2024-02-13 23:51 ./usr/share/lammps/examples/msst/in.msst -rw-r--r-- root/root 7924 2024-02-13 23:51 ./usr/share/lammps/examples/msst/log.08Feb21.msst.g++.1 -rw-r--r-- root/root 7924 2024-02-13 23:51 ./usr/share/lammps/examples/msst/log.08Feb21.msst.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/multi/ -rw-r--r-- root/root 1398209 2024-02-13 23:51 ./usr/share/lammps/examples/multi/data.powerlaw -rw-r--r-- root/root 1986 2024-02-13 23:51 ./usr/share/lammps/examples/multi/in.colloid -rw-r--r-- root/root 1400 2024-02-13 23:51 ./usr/share/lammps/examples/multi/in.granular -rw-r--r-- root/root 806 2024-02-13 23:51 ./usr/share/lammps/examples/multi/in.powerlaw -rw-r--r-- root/root 8095 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.colloid.intel.1 -rw-r--r-- root/root 8094 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.colloid.intel.4 -rw-r--r-- root/root 8103 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.colloid.old.intel.1 -rw-r--r-- root/root 8103 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.colloid.old.intel.4 -rw-r--r-- root/root 8019 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.granular.intel.1 -rw-r--r-- root/root 8022 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.granular.intel.4 -rw-r--r-- root/root 8026 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.granular.old.intel.1 -rw-r--r-- root/root 8030 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.granular.old.intel.4 -rw-r--r-- root/root 21114 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.powerlaw.intel.1 -rw-r--r-- root/root 21097 2024-02-13 23:51 ./usr/share/lammps/examples/multi/log.30Nov20.powerlaw.intel.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/nb3b/ -rw-r--r-- root/root 1795 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/MOH.nb3b.harmonic lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/nb3b/PSiO.nb3b.screened -> ../../potentials/PSiO.nb3b.screened -rw-r--r-- root/root 1692 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/README.nb3b.screened -rw-r--r-- root/root 644978 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/Table_NP.dat -rw-r--r-- root/root 402390 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/data.NaPO3 -rw-r--r-- root/root 122201 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/data.nb3b -rw-r--r-- root/root 1347 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/in.nb3b -rw-r--r-- root/root 899 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/in.nb3b.screened -rw-r--r-- root/root 8330 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/log.27Nov18.nb3b.g++.1 -rw-r--r-- root/root 8289 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/log.27Nov18.nb3b.g++.4 -rw-r--r-- root/root 5766 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/log.30Oct23.nb3b.screened.g++.1 -rw-r--r-- root/root 5769 2024-02-13 23:51 ./usr/share/lammps/examples/nb3b/log.30Oct23.nb3b.screened.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/neb/ -rw-r--r-- root/root 1242 2024-02-13 23:51 ./usr/share/lammps/examples/neb/README -rw-r--r-- root/root 782 2024-02-13 23:51 ./usr/share/lammps/examples/neb/Si.sw -rw-r--r-- root/root 18 2024-02-13 23:51 ./usr/share/lammps/examples/neb/final.hop1 -rw-r--r-- root/root 18 2024-02-13 23:51 ./usr/share/lammps/examples/neb/final.hop2 -rw-r--r-- root/root 212 2024-02-13 23:51 ./usr/share/lammps/examples/neb/final.sivac -rw-r--r-- root/root 1529 2024-02-13 23:51 ./usr/share/lammps/examples/neb/in.neb.hop1 -rw-r--r-- root/root 1349 2024-02-13 23:51 ./usr/share/lammps/examples/neb/in.neb.hop1.end -rw-r--r-- root/root 1589 2024-02-13 23:51 ./usr/share/lammps/examples/neb/in.neb.hop2 -rw-r--r-- root/root 1733 2024-02-13 23:51 ./usr/share/lammps/examples/neb/in.neb.sivac -rw-r--r-- root/root 64771 2024-02-13 23:51 ./usr/share/lammps/examples/neb/initial.hop1 -rw-r--r-- root/root 64797 2024-02-13 23:51 ./usr/share/lammps/examples/neb/initial.hop1.end -rw-r--r-- root/root 64925 2024-02-13 23:51 ./usr/share/lammps/examples/neb/initial.hop2 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root/root 1132 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/README -rw-r--r-- root/root 4339 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/data.FeOH3 -rw-r--r-- root/root 13157 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/ffield.reax.Fe_O_C_H -rw-r--r-- root/root 505 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/in.FeOH3 -rw-r--r-- root/root 405 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/lmp_control -rw-r--r-- root/root 6350 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/log.30Nov23.FeOH3.g++.1 -rw-r--r-- root/root 6350 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/log.30Nov23.FeOH3.g++.4 -rw-r--r-- root/root 72 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/FeOH3/param.qeq drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/ -rw-r--r-- root/root 2517 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/README.txt -rw-r--r-- root/root 54692 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/data.hns-equil -rw-r--r-- root/root 13576 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/ffield.reax.hns -rw-r--r-- root/root 840 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/in.reaxff.hns -rw-r--r-- root/root 5612 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/log.30Nov23.reaxff.hns.g++.1 -rw-r--r-- root/root 5618 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/HNS/log.30Nov23.reaxff.hns.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/ -rw-r--r-- root/root 1516 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/README -rw-r--r-- root/root 4346 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/data.RDX -rw-r--r-- root/root 12745 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/ffield.reax.rdx -rw-r--r-- root/root 508 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/in.RDX -rw-r--r-- root/root 406 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/lmp_control -rw-r--r-- root/root 6343 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/log.30Nov23.RDX.g++.1 -rw-r--r-- root/root 6347 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/log.30Nov23.RDX.g++.4 -rw-r--r-- root/root 96 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/RDX/param.qeq -rw-r--r-- root/root 1532 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/README drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/ -rw-r--r-- root/root 931 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/README -rw-r--r-- root/root 4146 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/data.VOH -rw-r--r-- root/root 13610 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/ffield.reax.V_O_C_H -rw-r--r-- root/root 498 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/in.VOH -rw-r--r-- root/root 406 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/lmp_control -rw-r--r-- root/root 5553 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/log.30Nov23.VOH.g++.1 -rw-r--r-- root/root 5553 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/log.30Nov23.VOH.g++.4 -rw-r--r-- root/root 96 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/VOH/param.qeq drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/ -rw-r--r-- root/root 1027 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/README -rw-r--r-- root/root 4338 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/data.ZnOH2 -rw-r--r-- root/root 8096 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/ffield.reax.ZnOH -rw-r--r-- root/root 501 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/in.ZnOH2 -rw-r--r-- root/root 365 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/lmp_control -rw-r--r-- root/root 4685 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/log.30Nov23.ZnOH2.g++.1 -rw-r--r-- root/root 4687 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/log.30Nov23.ZnOH2.g++.4 -rw-r--r-- root/root 72 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ZnOH2/param.qeq drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/ -rw-r--r-- root/root 56688 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/CH4.dat -rw-r--r-- root/root 1354137 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/ci-reaxFF_ZBL.dat -rw-r--r-- root/root 26 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/control -rw-r--r-- root/root 6580 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/ffield.ci-reax.CH -rw-r--r-- root/root 609 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/in.ci-reax.CH -rw-r--r-- root/root 4249 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/log.30Nov23.ci-reax.CH.g++.1 -rw-r--r-- root/root 4249 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ci-reaxFF/log.30Nov23.ci-reax.CH.g++.4 -rw-r--r-- root/root 1009 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/control.reax_c.rdx -rw-r--r-- root/root 1011 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/control.reax_c.tatb -rw-r--r-- root/root 967 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/data.rdx -rw-r--r-- root/root 18717 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/data.tatb -rw-r--r-- root/root 12745 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/ffield.reax -rw-r--r-- root/root 1401 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/in.reaxff.rdx -rw-r--r-- root/root 1402 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/in.reaxff.rdx-shielded -rw-r--r-- root/root 1788 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/in.reaxff.tatb -rw-r--r-- root/root 1530 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/in.reaxff.tatb-shielded -rw-r--r-- root/root 7995 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx-shielded.g++.1 -rw-r--r-- root/root 7996 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx-shielded.g++.4 -rw-r--r-- root/root 8203 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx.g++.1 -rw-r--r-- root/root 8203 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.rdx.g++.4 -rw-r--r-- root/root 6883 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb-shielded.g++.1 -rw-r--r-- root/root 6881 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb-shielded.g++.4 -rw-r--r-- root/root 7088 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb.g++.1 -rw-r--r-- root/root 7087 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/log.21Jul21.reaxff.tatb.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/reaxff/water/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/reaxff/water/acks2_ff.water -> ../../../potentials/acks2_ff.water -rw-r--r-- root/root 316016 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/data.water -rw-r--r-- root/root 694 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/in.water.acks2 -rw-r--r-- root/root 788 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/in.water.acks2.field -rw-r--r-- root/root 687 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/in.water.qeq -rw-r--r-- root/root 781 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/in.water.qeq.field -rw-r--r-- root/root 4488 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2-field.g++.1 -rw-r--r-- root/root 4487 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2-field.g++.4 -rw-r--r-- root/root 4079 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2.g++.1 -rw-r--r-- root/root 4079 2024-02-13 23:51 ./usr/share/lammps/examples/reaxff/water/log.13Oct21.reaxff.water-acks2.g++.4 -rw-r--r-- root/root 4428 2024-02-13 23:51 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-rw-r--r-- root/root 556 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/in.first -rw-r--r-- root/root 669 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/in.rdf.first -rw-r--r-- root/root 544 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/in.rdf.rerun -rw-r--r-- root/root 664 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/in.read_dump -rw-r--r-- root/root 477 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/in.rerun -rw-r--r-- root/root 3375 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/log.09Jan20.first.g++.4 -rw-r--r-- root/root 3659 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/log.09Jan20.rdf.first.g++.4 -rw-r--r-- root/root 3538 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/log.09Jan20.rdf.rerun.g++.4 -rw-r--r-- root/root 3609 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/log.09Jan20.read_dump.g++.4 -rw-r--r-- root/root 2822 2024-02-13 23:51 ./usr/share/lammps/examples/rerun/log.09Jan20.rerun.g++.4 -rw-r--r-- root/root 1161 2024-02-13 23:51 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root/root 19990 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.molecule.g++.4 -rw-r--r-- root/root 19253 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems.g++.1 -rw-r--r-- root/root 19254 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems.g++.4 -rw-r--r-- root/root 19346 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems2.g++.1 -rw-r--r-- root/root 19347 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems2.g++.4 -rw-r--r-- root/root 19315 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems3.g++.1 -rw-r--r-- root/root 19313 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems3.g++.4 -rw-r--r-- root/root 19188 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems4.g++.1 -rw-r--r-- root/root 19189 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems4.g++.4 -rw-r--r-- root/root 19191 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems5.g++.1 -rw-r--r-- root/root 19191 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.poems5.g++.4 -rw-r--r-- root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.rigid.molecule.g++.1 -rw-r--r-- root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.rigid.molecule.g++.4 -rw-r--r-- root/root 19179 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.g++.1 -rw-r--r-- root/root 19179 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.g++.4 -rw-r--r-- root/root 19262 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.infile.g++.1 -rw-r--r-- root/root 19259 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.20Mar22.rigid.small.infile.g++.4 -rw-r--r-- root/root 18984 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomfile.g++.1 -rw-r--r-- root/root 18991 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomfile.g++.4 -rw-r--r-- root/root 19130 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomvar.g++.1 -rw-r--r-- root/root 19138 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.atomvar.g++.4 -rw-r--r-- root/root 19020 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.early.g++.1 -rw-r--r-- root/root 19027 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.early.g++.4 -rw-r--r-- root/root 18989 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.g++.1 -rw-r--r-- root/root 18996 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.g++.4 -rw-r--r-- root/root 19039 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.early.g++.1 -rw-r--r-- root/root 19043 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.early.g++.4 -rw-r--r-- root/root 19008 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.g++.1 -rw-r--r-- root/root 19012 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.nve.g++.4 -rw-r--r-- root/root 19072 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.property.g++.1 -rw-r--r-- root/root 19080 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.property.g++.4 -rw-r--r-- root/root 29551 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.tnr.g++.1 -rw-r--r-- root/root 29569 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/log.27Nov18.rigid.tnr.g++.4 -rw-r--r-- root/root 519 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/molecule.data -rw-r--r-- root/root 396 2024-02-13 23:51 ./usr/share/lammps/examples/rigid/unconnected-bodies.dat drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/shear/ -rw-r--r-- root/root 36573 2024-02-13 23:51 ./usr/share/lammps/examples/shear/Ni_u3.eam -rw-r--r-- root/root 1541 2024-02-13 23:51 ./usr/share/lammps/examples/shear/in.shear -rw-r--r-- root/root 1551 2024-02-13 23:51 ./usr/share/lammps/examples/shear/in.shear.void -rw-r--r-- root/root 8113 2024-02-13 23:51 ./usr/share/lammps/examples/shear/log.27Nov18.shear.g++.1 -rw-r--r-- root/root 8123 2024-02-13 23:51 ./usr/share/lammps/examples/shear/log.27Nov18.shear.g++.4 -rw-r--r-- root/root 8166 2024-02-13 23:51 ./usr/share/lammps/examples/shear/log.27Nov18.shear.void.g++.1 -rw-r--r-- root/root 8164 2024-02-13 23:51 ./usr/share/lammps/examples/shear/log.27Nov18.shear.void.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/C_SNAP_2021.10.15.quadratic.snapcoeff -> ../../potentials/C_SNAP_2021.10.15.quadratic.snapcoeff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/C_SNAP_2021.10.15.quadratic.snapparam -> ../../potentials/C_SNAP_2021.10.15.quadratic.snapparam lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/He_He_JW2013.table -> ../../potentials/He_He_JW2013.table lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/InP_JCPA2020.snap -> ../../potentials/InP_JCPA2020.snap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/InP_JCPA2020.snapcoeff -> ../../potentials/InP_JCPA2020.snapcoeff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/InP_JCPA2020.snapparam -> ../../potentials/InP_JCPA2020.snapparam lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/Mo_Chen_PRM2017.snap -> ../../potentials/Mo_Chen_PRM2017.snap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/Mo_Chen_PRM2017.snapcoeff -> ../../potentials/Mo_Chen_PRM2017.snapcoeff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/Mo_Chen_PRM2017.snapparam -> ../../potentials/Mo_Chen_PRM2017.snapparam lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/Ni_Zuo_JPCA2020.quadratic.snapcoeff -> ../../potentials/Ni_Zuo_JPCA2020.quadratic.snapcoeff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/Ni_Zuo_JPCA2020.quadratic.snapparam -> ../../potentials/Ni_Zuo_JPCA2020.quadratic.snapparam lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/Ni_Zuo_JPCA2020.snapcoeff -> ../../potentials/Ni_Zuo_JPCA2020.snapcoeff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/Ni_Zuo_JPCA2020.snapparam -> ../../potentials/Ni_Zuo_JPCA2020.snapparam -rw-r--r-- root/root 938 2024-02-13 23:51 ./usr/share/lammps/examples/snap/README.md lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/Ta06A.snap -> ../../potentials/Ta06A.snap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/Ta06A.snapcoeff -> ../../potentials/Ta06A.snapcoeff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/Ta06A.snapparam -> ../../potentials/Ta06A.snapparam lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/WBe_Wood_PRB2019.snap -> ../../potentials/WBe_Wood_PRB2019.snap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/WBe_Wood_PRB2019.snapcoeff -> ../../potentials/WBe_Wood_PRB2019.snapcoeff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/WBe_Wood_PRB2019.snapparam -> ../../potentials/WBe_Wood_PRB2019.snapparam lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/W_2940_2017_2.snap -> ../../potentials/W_2940_2017_2.snap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/W_2940_2017_2.snapcoeff -> ../../potentials/W_2940_2017_2.snapcoeff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/W_2940_2017_2.snapparam -> ../../potentials/W_2940_2017_2.snapparam lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/W_2940_2017_2_He_JW2013.snap -> ../../potentials/W_2940_2017_2_He_JW2013.snap lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/snap/W_He_JW2013.table -> ../../potentials/W_He_JW2013.table -rw-r--r-- root/root 4553 2024-02-13 23:51 ./usr/share/lammps/examples/snap/compute_snap_dgrad.py -rw-r--r-- root/root 1058 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.C_SNAP -rw-r--r-- root/root 2316 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.grid.snap -rw-r--r-- root/root 2963 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.grid.tri -rw-r--r-- root/root 803 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.InP.JCPA2020 -rw-r--r-- root/root 749 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.Mo_Chen -rw-r--r-- root/root 739 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.Ta06A -rw-r--r-- root/root 747 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.W.2940 -rw-r--r-- root/root 902 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.WBe.PRB2019 -rw-r--r-- root/root 2753 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.compute -rw-r--r-- root/root 2783 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.compute.quadratic -rw-r--r-- root/root 931 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.hybrid.WSNAP.HePair -rw-r--r-- root/root 1323 2024-02-13 23:51 ./usr/share/lammps/examples/snap/in.snap.scale.Ni_Zuo_JCPA2020 -rw-r--r-- root/root 7306 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.03Jul20.snap.compute.g++.1 -rw-r--r-- root/root 7401 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.03Jul20.snap.compute.g++.4 -rw-r--r-- root/root 7341 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.03Jul20.snap.compute.quadratic.g++.1 -rw-r--r-- root/root 7437 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.03Jul20.snap.compute.quadratic.g++.4 -rw-r--r-- root/root 5340 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.InP.JCPA2020.g++.1 -rw-r--r-- root/root 5338 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.InP.JCPA2020.g++.4 -rw-r--r-- root/root 4345 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.Mo_Chen.g++.1 -rw-r--r-- root/root 4343 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.Mo_Chen.g++.4 -rw-r--r-- root/root 4805 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.Ta06A.g++.1 -rw-r--r-- root/root 4800 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.Ta06A.g++.4 -rw-r--r-- root/root 4936 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.W.2940.g++.1 -rw-r--r-- root/root 4931 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.W.2940.g++.4 -rw-r--r-- root/root 5286 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.WBe.PRB2019.g++.1 -rw-r--r-- root/root 5281 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.WBe.PRB2019.g++.4 -rw-r--r-- root/root 6631 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.hybrid.WSNAP.HePair.g++.1 -rw-r--r-- root/root 6630 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun20.snap.hybrid.WSNAP.HePair.g++.4 -rw-r--r-- root/root 6702 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun22.grid.snap.g++.1 -rw-r--r-- root/root 6798 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun22.grid.snap.g++.4 -rw-r--r-- root/root 7859 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun22.grid.tri.g++.1 -rw-r--r-- root/root 7858 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.15Jun22.grid.tri.g++.4 -rw-r--r-- root/root 5049 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.30May23.C_SNAP.g++.1 -rw-r--r-- root/root 5042 2024-02-13 23:51 ./usr/share/lammps/examples/snap/log.30May23.C_SNAP.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/srd/ -rw-r--r-- root/root 2106 2024-02-13 23:51 ./usr/share/lammps/examples/srd/in.srd.mixture -rw-r--r-- root/root 1010 2024-02-13 23:51 ./usr/share/lammps/examples/srd/in.srd.pure -rw-r--r-- root/root 17978 2024-02-13 23:51 ./usr/share/lammps/examples/srd/log.27Nov18.srd.mixture.g++.1 -rw-r--r-- root/root 17986 2024-02-13 23:51 ./usr/share/lammps/examples/srd/log.27Nov18.srd.mixture.g++.4 -rw-r--r-- root/root 8213 2024-02-13 23:51 ./usr/share/lammps/examples/srd/log.27Nov18.srd.pure.g++.1 -rw-r--r-- root/root 8212 2024-02-13 23:51 ./usr/share/lammps/examples/srd/log.27Nov18.srd.pure.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/ -rw-r--r-- root/root 2696 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/in.bcc -rw-r--r-- root/root 2518 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/in.fcc -rw-r--r-- root/root 3100 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/in.icos -rw-r--r-- root/root 6050 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.bcc.g++.1 -rw-r--r-- root/root 6050 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.bcc.g++.4 -rw-r--r-- root/root 5788 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.fcc.g++.1 -rw-r--r-- root/root 5781 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.fcc.g++.4 -rw-r--r-- root/root 8341 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.icos.g++.1 -rw-r--r-- root/root 8350 2024-02-13 23:51 ./usr/share/lammps/examples/steinhardt/log.13Sept18.icos.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/ -rw-r--r-- root/root 170686 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/AlO.eam.alloy -rw-r--r-- root/root 455 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/AlO.streitz -rw-r--r-- root/root 144528 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/data.streitz -rw-r--r-- root/root 1469 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/in.streitz.ewald -rw-r--r-- root/root 1464 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/in.streitz.wolf -rw-r--r-- root/root 6066 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/log.27Nov18.streitz.ewald.g++.1 -rw-r--r-- root/root 6021 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/log.27Nov18.streitz.ewald.g++.4 -rw-r--r-- root/root 5673 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/log.27Nov18.streitz.wolf.g++.1 -rw-r--r-- root/root 5630 2024-02-13 23:51 ./usr/share/lammps/examples/streitz/log.27Nov18.streitz.wolf.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/tad/ -rw-r--r-- root/root 125 2024-02-13 23:51 ./usr/share/lammps/examples/tad/README -rw-r--r-- root/root 782 2024-02-13 23:51 ./usr/share/lammps/examples/tad/Si.sw -rw-r--r-- root/root 2711 2024-02-13 23:51 ./usr/share/lammps/examples/tad/in.tad -rw-r--r-- root/root 1846 2024-02-13 23:51 ./usr/share/lammps/examples/tad/log.5Oct16.tad.g++.3 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/template/ -rw-r--r-- root/root 464 2024-02-13 23:51 ./usr/share/lammps/examples/template/co2.mol -rw-r--r-- root/root 745 2024-02-13 23:51 ./usr/share/lammps/examples/template/cyclohexane.mol -rw-r--r-- root/root 29198 2024-02-13 23:51 ./usr/share/lammps/examples/template/h2o-co2.data -rw-r--r-- root/root 514 2024-02-13 23:51 ./usr/share/lammps/examples/template/h2o.mol -rw-r--r-- root/root 799 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.hybrid -rw-r--r-- root/root 465 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.mol-data-mix -rw-r--r-- root/root 302 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.mol-restart-mix -rw-r--r-- root/root 1114 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.molecular-mix -rw-r--r-- root/root 1047 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.template-mix -rw-r--r-- root/root 470 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.tmpl-data-mix -rw-r--r-- root/root 301 2024-02-13 23:51 ./usr/share/lammps/examples/template/in.tmpl-restart-mix -rw-r--r-- root/root 6648 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.hybrid.g++.1 -rw-r--r-- root/root 6649 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.hybrid.g++.4 -rw-r--r-- root/root 4837 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.mol-data-mix.g++.1 -rw-r--r-- root/root 4837 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.mol-data-mix.g++.4 -rw-r--r-- root/root 4696 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.mol-restart-mix.g++.1 -rw-r--r-- root/root 4784 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.mol-restart-mix.g++.4 -rw-r--r-- root/root 7728 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.molecular-mix.g++.1 -rw-r--r-- root/root 7802 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.molecular-mix.g++.4 -rw-r--r-- root/root 7663 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.template-mix.g++.1 -rw-r--r-- root/root 7740 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.template-mix.g++.4 -rw-r--r-- root/root 4352 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.tmpl-data-mix.g++.1 -rw-r--r-- root/root 4352 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.tmpl-data-mix.g++.4 -rw-r--r-- root/root 4616 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.tmpl-restart-mix.g++.1 -rw-r--r-- root/root 4527 2024-02-13 23:51 ./usr/share/lammps/examples/template/log.22Oct20.tmpl-restart-mix.g++.4 -rw-r--r-- root/root 747887 2024-02-13 23:51 ./usr/share/lammps/examples/template/molecular-mix.data -rw-r--r-- root/root 573839 2024-02-13 23:51 ./usr/share/lammps/examples/template/template-mix.data drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/tersoff/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/tersoff/BNC.tersoff -> ../../potentials/BNC.tersoff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/tersoff/Si.tersoff -> ../../potentials/Si.tersoff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/tersoff/Si.tersoff.mod -> ../../potentials/Si.tersoff.mod lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/tersoff/Si.tersoff.modc -> ../../potentials/Si.tersoff.modc -rw-r--r-- root/root 89120 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/hBN-monolayer-5nm.data -rw-r--r-- root/root 1183 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/in.hBN_shift -rw-r--r-- root/root 3482 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/in.tersoff -rw-r--r-- root/root 20678 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/log.09Feb21.tersoff.g++.1 -rw-r--r-- root/root 20678 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/log.09Feb21.tersoff.g++.4 -rw-r--r-- root/root 4333 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/log.13Jan21.hBN_shift.g++.1 -rw-r--r-- root/root 4333 2024-02-13 23:51 ./usr/share/lammps/examples/tersoff/log.13Jan21.hBN_shift.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/threebody/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/threebody/BNC.tersoff -> ../../potentials/BNC.tersoff lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/threebody/CdTeZnSeHgS0.sw -> ../../potentials/CdTeZnSeHgS0.sw lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/threebody/InP.vashishta -> ../../potentials/InP.vashishta lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/threebody/Si.sw -> ../../potentials/Si.sw lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/threebody/SiC.tersoff.zbl -> ../../potentials/SiC.tersoff.zbl -rw-r--r-- root/root 837 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/in.mos2.sw.mod -rw-r--r-- root/root 3471 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/in.threebody -rw-r--r-- root/root 3587 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/log.27Oct21.mos2_sw_mod.g++.1 -rw-r--r-- root/root 20764 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/log.29Sep21.threebody.g++.1 -rw-r--r-- root/root 20764 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/log.29Sep21.threebody.g++.4 -rw-r--r-- root/root 58745 2024-02-13 23:51 ./usr/share/lammps/examples/threebody/single_layer_MoS2.data lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/threebody/tmd.sw.mod -> ../../potentials/tmd.sw.mod drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/ -rw-r--r-- root/root 143225 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/contact_history.dat -rw-r--r-- root/root 839 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/in.track -rw-r--r-- root/root 1053 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/lifetime_hist.dat -rw-r--r-- root/root 4474 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/log.8Apr21.tracker.g++.1 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/reference/ -rw-r--r-- root/root 143115 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/reference/contact_history.dat -rw-r--r-- root/root 1053 2024-02-13 23:51 ./usr/share/lammps/examples/tracker/reference/lifetime_hist.dat drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/ttm/ -rw-r--r-- root/root 487459 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/FeVoter-ChenRecheck.fs lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/ttm/Si.sw -> ../../potentials/Si.sw -rw-r--r-- root/root 880 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/Si.ttm_mod -rw-r--r-- root/root 1128 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/in.ttm -rw-r--r-- root/root 1701 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/in.ttm.grid -rw-r--r-- root/root 745 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/in.ttm.mod -rw-r--r-- root/root 4788 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.18May23.ttm.mod.g++.1 -rw-r--r-- root/root 4924 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.18May23.ttm.mod.g++.4 -rw-r--r-- root/root 5889 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.1Dec22.ttm.grid.g++.1 -rw-r--r-- root/root 6014 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.1Dec22.ttm.grid.g++.4 -rw-r--r-- root/root 5270 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.26Aug21.ttm.g++.1 -rw-r--r-- root/root 5271 2024-02-13 23:51 ./usr/share/lammps/examples/ttm/log.26Aug21.ttm.g++.4 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/vashishta/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/vashishta/InP.vashishta -> ../../potentials/InP.vashishta lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/lammps/examples/vashishta/SiO.1990.vashishta -> ../../potentials/SiO.1990.vashishta -rw-r--r-- root/root 684 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/data.quartz -rw-r--r-- root/root 1405 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/in.vashishta.inp -rw-r--r-- root/root 469 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/in.vashishta.sio2 -rw-r--r-- root/root 1423 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/in.vashishta.table.inp -rw-r--r-- root/root 519 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/in.vashishta.table.sio2 -rw-r--r-- root/root 216265 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.inp.g++.1 -rw-r--r-- root/root 216405 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.inp.g++.4 -rw-r--r-- root/root 3355 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.sio2.g++.1 -rw-r--r-- root/root 3356 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.sio2.g++.4 -rw-r--r-- root/root 216593 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.1 -rw-r--r-- root/root 216412 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.inp.g++.4 -rw-r--r-- root/root 3450 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.1 -rw-r--r-- root/root 3452 2024-02-13 23:51 ./usr/share/lammps/examples/vashishta/log.27Nov18.vashishta.table.sio2.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/ -rw-r--r-- root/root 474 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/README -rw-r--r-- root/root 6141 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/in.voronoi -rw-r--r-- root/root 1107 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/in.voronoi.2d -rw-r--r-- root/root 1760 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/in.voronoi.data -rw-r--r-- root/root 4366 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.2d.g++.1 -rw-r--r-- root/root 4361 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.2d.g++.4 -rw-r--r-- root/root 5115 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.data.g++.1 -rw-r--r-- root/root 5115 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.data.g++.4 -rw-r--r-- root/root 24002 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.g++.1 -rw-r--r-- root/root 24017 2024-02-13 23:51 ./usr/share/lammps/examples/voronoi/log.27Nov18.voronoi.g++.4 drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/wall/ -rw-r--r-- root/root 628 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.ccl -rw-r--r-- root/root 537 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.diffusive -rw-r--r-- root/root 2622 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.lepton -rw-r--r-- root/root 597 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.maxwell -rw-r--r-- root/root 435 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.specular -rw-r--r-- root/root 2900 2024-02-13 23:51 ./usr/share/lammps/examples/wall/in.wall.table -rw-r--r-- root/root 34401 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.23Feb23.wall.lepton.g++.1 -rw-r--r-- root/root 34399 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.23Feb23.wall.lepton.g++.4 -rw-r--r-- root/root 44125 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.23Feb23.wall.table.g++.1 -rw-r--r-- root/root 44129 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.23Feb23.wall.table.g++.4 -rw-r--r-- root/root 3228 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.ccl.g++.1 -rw-r--r-- root/root 3227 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.ccl.g++.4 -rw-r--r-- root/root 3139 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.diffusive.g++.1 -rw-r--r-- root/root 3139 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.diffusive.g++.4 -rw-r--r-- root/root 3195 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.maxwell.g++.1 -rw-r--r-- root/root 3206 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.maxwell.g++.4 -rw-r--r-- root/root 3037 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.specular.g++.1 -rw-r--r-- root/root 3035 2024-02-13 23:51 ./usr/share/lammps/examples/wall/log.9Jan20.wall.specular.g++.4 -rw-r--r-- root/root 341 2024-02-13 23:51 ./usr/share/lammps/examples/wall/wall.inc -rw-r--r-- root/root 93822 2024-02-13 23:51 ./usr/share/lammps/examples/wall/walltab.dat drwxr-xr-x root/root 0 2024-02-13 23:51 ./usr/share/lammps/examples/yaml/ -rw-r--r-- root/root 858 2024-02-13 23:51 ./usr/share/lammps/examples/yaml/in.yaml -rw-r--r-- root/root 7357 2024-02-13 23:51 ./usr/share/lammps/examples/yaml/log.7Apr22.yaml.g++.1 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lintian/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lintian/overrides/ -rw-r--r-- root/root 25 2024-02-18 15:27 ./usr/share/lintian/overrides/lammps-examples lammps_20240207+dfsg-1.1build2_amd64.deb ---------------------------------------- new Debian package, version 2.0. size 15276 bytes: control archive=1041 bytes. 51 bytes, 2 lines conffiles 1226 bytes, 24 lines control 242 bytes, 4 lines md5sums Package: lammps Version: 20240207+dfsg-1.1build2 Architecture: amd64 Maintainer: Ubuntu Developers Installed-Size: 58 Depends: lammps-data, libc6 (>= 2.34), libgcc-s1 (>= 3.0), liblammps0t64 (>= 20240207+dfsg), libopenmpi3t64 (>= 4.1.6), libstdc++6 (>= 4.1.1), mpi-default-bin Recommends: lammps-doc Suggests: python3, openkim-models Section: science Priority: optional Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. Original-Maintainer: Debian Science Maintainers drwxr-xr-x root/root 0 2024-03-16 06:29 ./ drwxr-xr-x root/root 0 2024-03-16 06:29 ./etc/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./etc/profile.d/ -rw-r--r-- root/root 256 2024-03-16 06:29 ./etc/profile.d/lammps.csh -rw-r--r-- root/root 257 2024-03-16 06:29 ./etc/profile.d/lammps.sh drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/bin/ -rwxr-xr-x root/root 14688 2024-03-16 06:29 ./usr/bin/lmp drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/doc/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/doc/lammps/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/doc/lammps/changelog.Debian.gz -> ../liblammps0t64/changelog.Debian.gz -rw-r--r-- root/root 16713 2024-02-18 15:27 ./usr/share/doc/lammps/copyright drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lintian/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lintian/overrides/ -rw-r--r-- root/root 53 2024-02-18 15:27 ./usr/share/lintian/overrides/lammps drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/man/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/man/man1/ -rw-r--r-- root/root 4988 2024-03-16 06:29 ./usr/share/man/man1/lmp.1.gz liblammps-dev_20240207+dfsg-1.1build2_amd64.deb ----------------------------------------------- new Debian package, version 2.0. size 112486 bytes: control archive=2141 bytes. 1248 bytes, 27 lines control 2968 bytes, 45 lines md5sums Package: liblammps-dev Source: lammps Version: 20240207+dfsg-1.1build2 Architecture: amd64 Maintainer: Ubuntu Developers Installed-Size: 589 Depends: liblammps0t64 (= 20240207+dfsg-1.1build2), mpi-default-dev Recommends: lammps-doc Section: science Priority: optional Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator (dev files) LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . This package contains development files and headers to build applications using the LAMMPS shared library. Original-Maintainer: Debian Science Maintainers drwxr-xr-x root/root 0 2024-03-16 06:29 ./ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/include/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/include/lammps/ -rw-r--r-- root/root 3478 2024-02-13 23:51 ./usr/include/lammps/angle.h -rw-r--r-- root/root 13387 2024-02-13 23:51 ./usr/include/lammps/atom.h -rw-r--r-- root/root 3813 2024-02-13 23:51 ./usr/include/lammps/bond.h -rw-r--r-- root/root 1572 2024-02-13 23:51 ./usr/include/lammps/citeme.h -rw-r--r-- root/root 7747 2024-02-13 23:51 ./usr/include/lammps/comm.h -rw-r--r-- root/root 930 2024-02-13 23:51 ./usr/include/lammps/command.h -rw-r--r-- root/root 7787 2024-02-13 23:51 ./usr/include/lammps/compute.h -rw-r--r-- root/root 3120 2024-02-13 23:51 ./usr/include/lammps/dihedral.h -rw-r--r-- root/root 6404 2024-02-13 23:51 ./usr/include/lammps/domain.h -rw-r--r-- root/root 3124 2024-02-13 23:51 ./usr/include/lammps/error.h -rw-r--r-- 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liblammps.so.0 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/lib/x86_64-linux-gnu/pkgconfig/ -rw-r--r-- root/root 896 2024-03-16 06:29 ./usr/lib/x86_64-linux-gnu/pkgconfig/liblammps.pc drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/doc/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/doc/liblammps-dev/ lrwxrwxrwx root/root 0 2024-03-16 06:29 ./usr/share/doc/liblammps-dev/changelog.Debian.gz -> ../liblammps0t64/changelog.Debian.gz -rw-r--r-- root/root 16713 2024-02-18 15:27 ./usr/share/doc/liblammps-dev/copyright liblammps0t64_20240207+dfsg-1.1build2_amd64.deb ----------------------------------------------- new Debian package, version 2.0. size 7167670 bytes: control archive=1353 bytes. 1740 bytes, 29 lines control 304 bytes, 4 lines md5sums 45 bytes, 1 lines shlibs 75 bytes, 2 lines triggers Package: liblammps0t64 Source: lammps Version: 20240207+dfsg-1.1build2 Architecture: amd64 Maintainer: Ubuntu Developers Installed-Size: 24416 Depends: libblas3 | libblas.so.3, libc6 (>= 2.38), libcurl4t64 (>= 7.16.2), libfftw3-double3 (>= 3.3.10), libgcc-s1 (>= 4.0), libgomp1 (>= 4.9), libhdf5-103-1t64, libjpeg8 (>= 8c), libkim-api2 (>= 2.3.0), liblapack3 | liblapack.so.3, libnetcdf19t64 (>= 4.0.1), libopenmpi3t64 (>= 4.1.6), libpnetcdf0d (>= 1.12.3), libpng16-16t64 (>= 1.6.2), libpython3.12t64 (>= 3.12.1), libstdc++6 (>= 13.1), libvoro++1 (>= 0.4.6), libvtk9.1t64 (>= 9.1.0+really9.1.0+dfsg2), libzstd1 (>= 1.5.5), zlib1g (>= 1:1.1.4) Breaks: liblammps0 (<< 20240207+dfsg-1.1build2) Replaces: liblammps0 Provides: liblammps0 (= 20240207+dfsg-1.1build2) Section: science Priority: optional Multi-Arch: same Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator (shared library) LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . This package provides the LAMMPS shared library. Original-Maintainer: Debian Science Maintainers drwxr-xr-x root/root 0 2024-03-16 06:29 ./ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/lib/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/lib/x86_64-linux-gnu/ -rw-r--r-- root/root 24967080 2024-03-16 06:29 ./usr/lib/x86_64-linux-gnu/liblammps.so.0 drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/doc/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/doc/liblammps0t64/ -rw-r--r-- root/root 3551 2024-03-16 06:29 ./usr/share/doc/liblammps0t64/changelog.Debian.gz -rw-r--r-- root/root 16713 2024-02-18 15:27 ./usr/share/doc/liblammps0t64/copyright drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lintian/ drwxr-xr-x root/root 0 2024-03-16 06:29 ./usr/share/lintian/overrides/ -rw-r--r-- root/root 113 2024-02-28 16:49 ./usr/share/lintian/overrides/liblammps0t64 python3-lammps_20240207+dfsg-1.1build2_amd64.deb ------------------------------------------------ new Debian package, version 2.0. size 70464 bytes: control archive=2756 bytes. 1181 bytes, 26 lines control 4975 bytes, 56 lines md5sums 275 bytes, 12 lines * postinst #!/bin/sh 388 bytes, 12 lines * prerm #!/bin/sh Package: python3-lammps Source: lammps Version: 20240207+dfsg-1.1build2 Architecture: amd64 Maintainer: Ubuntu Developers Installed-Size: 440 Depends: liblammps-dev, python3:any, mpi-default-bin Recommends: python3-mpi4py, lammps-doc Section: python Priority: optional Homepage: https://lammps.sandia.gov/ Description: Molecular Dynamics Simulator LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. . LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. . LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. . This package provides the Python module for LAMMPS. 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./usr/share/doc/python3-lammps/examples/vizplotgui_gl.py -rwxr-xr-x root/root 4128 2024-02-13 23:51 ./usr/share/doc/python3-lammps/examples/vizplotgui_pymol.py -rwxr-xr-x root/root 4114 2024-02-13 23:51 ./usr/share/doc/python3-lammps/examples/vizplotgui_vmd.py +------------------------------------------------------------------------------+ | Post Build | +------------------------------------------------------------------------------+ +------------------------------------------------------------------------------+ | Cleanup | +------------------------------------------------------------------------------+ Purging /<> Not removing build depends: as requested +------------------------------------------------------------------------------+ | Summary | +------------------------------------------------------------------------------+ Build Architecture: amd64 Build Type: binary Build-Space: 3382304 Build-Time: 817 Distribution: noble-proposed Host Architecture: amd64 Install-Time: 171 Job: lammps_20240207+dfsg-1.1build2.dsc Machine Architecture: amd64 Package: lammps Package-Time: 992 Source-Version: 20240207+dfsg-1.1build2 Space: 3382304 Status: successful Version: 20240207+dfsg-1.1build2 -------------------------------------------------------------------------------- Finished at 2024-03-16T06:49:48Z Build needed 00:16:32, 3382304k disk space RUN: /usr/share/launchpad-buildd/bin/in-target scan-for-processes --backend=chroot --series=noble --arch=amd64 PACKAGEBUILD-27929703 Scanning for processes to kill in build PACKAGEBUILD-27929703