[ Bron: cp2k ]
Pakket: cp2k-data (2023.1-2)
Verwijzigingen voor cp2k-data
Debian bronnen:
Het bronpakket cp2k downloaden:
Beheerders:
Externe bronnen:
- Homepage [www.cp2k.org]
Vergelijkbare pakketten:
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.