cp2k source package in Impish

cp2k: Ab Initio Molecular Dynamics
cp2k-data: Ab Initio Molecular Dynamics (data files)
cp2k-dbgsym: debug symbols for cp2k

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The package versions that were published when the distribution release was made.

cp2k information

Current version:
8.1-9
Uploaded:
2021-03-23
Urgency:
Medium Urgency

Upstream connections

BigDFT1.8

BigDFT is an ab initio code based on Daubechies wavelets. Such functions have features which make them a powerful and promising basis set for application in materials science. These are a compact support multiresolution basis, and form one of the few examples of systematic real space basis sets. They are an optimal basis for expanding localised information. The real space description they provide allows to build an efficient, clean method to treat systems in complex environments, like surfaces geometries or system with a net charge. The mathematical properties of the formalism are optimal to build a robust, highly optimised code, conceived for systems of few hundred atoms, with excellent efficiency on parallel computers

Bug supervisor: yes
Bug tracker: yes
Branch: yes

BigDFT 1.8.3 (Wired) is older than the current packaged version. Launchpad may be missing release information for the 1.8 series or this package is linked to the wrong BigDFT series.

Releases in Ubuntu

Binary packages

Download files from current release (8.1-9)

File Size SHA-256 Checksum
cp2k_8.1-9.dsc 2.2 KiB 43b694128c164862d731c14a941ab2001c2ad8ca17716188ded7d1585632afd4
cp2k_8.1.orig.tar.bz2 75.7 MiB 7f37aead120730234a60b2989d0547ae5e5498d93b1e9b5eb548c041ee8e7772
cp2k_8.1-9.debian.tar.xz 14.9 KiB 4f9a670bca320e8e0f83f3e5272e26b71c0a194610cee15586e72e7fef12f993

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