Ubuntu
mopac package

mopac 22.1.0-1 source package in Ubuntu

Changelog

mopac (22.1.0-1) unstable; urgency=medium

  * New upstream release.
  * debian/copyright (Files-Excluded): Removed, fixed upstream.
  * debian/patches/compare_output.patch: Refreshed.
  * debian/patches/cmake_python3.patch: Likewise.
  * debian/patches/remove_makpol.patch: Removed, no longer needed.

 -- Michael Banck <email address hidden>  Sat, 02 Dec 2023 20:11:10 +0100

Upload details

Uploaded by:
Debichem Team
Uploaded to:
Sid
Original maintainer:
Debichem Team
Architectures:
any
Section:
misc
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section

Downloads

File Size SHA-256 Checksum
mopac_22.1.0-1.dsc 1.9 KiB 0f67d94a6c77cdca5a8eee5c3aea545fe7afaff1ffec3788421c25585f36c258
mopac_22.1.0.orig.tar.xz 9.9 MiB 9b06a0ce427d30cea067a0ad31f12da781fbd4409d46223cdffad19238a84ef8
mopac_22.1.0-1.debian.tar.xz 4.0 KiB c5e1f294e86776dcdecbd432c924c60a8c0d5702af600bd591cac385b49ef4bf

No changes file available.

Binary packages built by this source

mopac: Molecular Orbital PACkage (MOPAC)

 MOPAC is a general-purpose semiempirical molecular orbital package for the
 study of solid state and molecular structures and reactions.
 .
 The semiempirical Hamiltonians MNDO, AM1, PM3, PM6, RM1, MNDO-d and PM7 are
 used in the electronic part of the calculation to obtain molecular orbitals,
 the heat of formation and its derivative with respect to molecular geometry.
 .
 Using these results MOPAC calculates the vibrational spectra, thermodynamic
 quantities, isotopic substitution effects and force constants for molecules,
 radicals, ions, and polymers. For studying chemical reactions, a transition
 state location routine and two transition state optimizing routines are
 available. For users to get the most out of the program, they must understand
 how the program works, how to enter data, how to interpret the results, and
 what to do when things go wrong.

mopac-dbgsym: debug symbols for mopac