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[ Source: cp2k  ]

Package: cp2k-data (6.1-3)

Links for cp2k-data


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Ab Initio Molecular Dynamics (data files)

CP2K is a program to perform simulations of solid state, liquid, molecular and biological systems. It is especially aimed at massively parallel and linear scaling electronic structure methods and state-of-the-art ab-inito molecular dynamics (AIMD) simulations.

This package contains basis sets, pseudopotentials and force-field parameters.

Download cp2k-data

Download for all available architectures
Architecture Package Size Installed Size Files
all 17,533.4 kB99,947.0 kB [list of files]