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cp2k
cp2k-input-tools

Fully validating pure-python CP2K input file tools including preprocessing capabilities

5K 59 15
cp2k
cp2k-output-tools

Python tools to handle CP2K output files

3K 50 19
jxxcr
mdkits

kits for cp2k and abinit

3K 3 0
superstar54
aiida-bader

AiiDA plugin for Bader charge analysis

2K 2 1
SINGROUP
pycp2k

Python Cp2k interface

997 102 32
jxxcr
mdtool

kits for cp2k and abinit

422 3 0
nlesc-nano
cp2k-parser

A package for converting CP2K input files into PLAMS-compatible dictionaries.

309 3 1
minu928
cp2kbrew

Package for extracting the data from cp2k program, which was well known as tool for ab initio molecular dyanmics.

266 2 0