cp2k source package in Mantic
cp2k: Ab Initio Molecular Dynamics
cp2k-data: Ab Initio Molecular Dynamics (data files)
cp2k-dbgsym: debug symbols for cp2k
Versions published
- Release
-
The package versions that were published when the distribution release was made.
- cp2k 2023.1-2 (universe)
cp2k information
- Current version:
- 2023.1-2
- Uploaded:
- Urgency:
- Medium Urgency
Upstream connections
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:
- Bug tracker:
- Branch:
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
Download files from current release (2023.1-2)
| File | Size | SHA-256 Checksum |
|---|---|---|
| cp2k_2023.1-2.dsc | 2.2 KiB | d7a1daa1642182e97f0cb3e5250568b00f820fb5832f823d92dc36e85f582cfb |
| cp2k_2023.1.orig.tar.bz2 | 63.1 MiB | dff343b4a80c3a79363b805429bdb3320d3e1db48e0ff7d20a3dfd1c946a51ce |
| cp2k_2023.1-2.debian.tar.xz | 15.8 KiB | d4021e9b1890c88d5bc5fd98017342043f2a6ab2115bd679dce17845efd4fd3d |
Package relationships
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