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[ Källkod: cp2k  ]

Paket: cp2k-data (2.2.426-8)

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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, pseudo-potentials and force-field parameters.

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