cp2k source package in Hirsute
cp2k: Ab Initio Molecular Dynamics
cp2k-data: Ab Initio Molecular Dynamics (data files)
cp2k-dbgsym: No summary available for cp2k-dbgsym in ubuntu hirsute.
cp2k information
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
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There are no registered releases for the BigDFT ⇒ 1.8.
