User Tools

Site Tools


tools

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
tools [2015/09/03 06:00] – Add PyMOL plugin rivanvxtools [2023/11/10 11:42] (current) – Remove dead link krack
Line 3: Line 3:
 ====== Tools for simplifying your life with CP2K  ====== ====== Tools for simplifying your life with CP2K  ======
  
-<nspages tools -h1 -simpleList -textPages="" >+===== 3rd party software that interacts with CP2K =====
  
-  * [[http://cp2k.web.psi.ch/potentials|Goedecker-Teter-Hutter (GTH) pseudopotential parameter sets]] +<nspages tools -h1 -simpleList -textPages="" > 
-  * [[http://sourceforge.net/p/cp2k/code/HEAD/tree/trunk/basis_sets/|Gaussian basis sets generator for Quickstep]]+===== Basis sets and potentials =====
  
-====== Various script repositories from cp2k users and developers ======+  * [[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/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/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
tools.1441260055.txt.gz · Last modified: 2020/08/21 10:15 (external edit)