CP2K Open Source Molecular Dynamics

This page is read only. You can view the source, but not change it. Ask your administrator if you think this is wrong.

~~NOCACHE~~

====== Tools for simplifying your life with CP2K  ======

===== 3rd party software that interacts with CP2K =====

<nspages tools -h1 -simpleList -textPages="" >
===== Basis sets and potentials =====

  * [[https://htmlpreview.github.io/?https://github.com/cp2k/cp2k-data/blob/master/potentials/Goedecker/index.html|Goedecker-Teter-Hutter (GTH) pseudopotential parameter sets]]
===== Various script repositories from cp2k users and developers =====

  * [[https://github.com/dev-zero/cp2k-tools|Simple python scripts by Tiziano Müller]] to mangle/generate cp2k input/output
  * [[https://github.com/pmamonov/pymol-cp2k-qmmm|&QMMM section generator for PyMOL by Peter Mamonov]]
  * [[https://github.com/glb96/cp2kRTPtools| Python package by Guillaume Le Breton]] to read time-dependent CP2K output and provide some analysis tool for Real Time analysis