Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "cp2k" keyword
pwtools 1.2.3
pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targete...5 versions - Latest release: over 2 years ago - 49 stars on GitHub
cp2k-output-tools 0.5.0
Python tools to handle CP2K output files2 versions - Latest release: almost 2 years ago - 19 stars on GitHub
cp2k-input-tools 0.8.2
Fully validating pure-python CP2K input file tools including preprocessing capabilities1 version - Latest release: almost 2 years ago - 26 stars on GitHub
pycp2k 0.2.2
PYCP2K is a python package providing a dynamic object-oriented interface to CP2K, an atomistic an...1 version - Latest release: over 4 years ago - 1 dependent repositories - 64 stars on GitHub
Related Keywords
python
4
python-interface
1
parser
1
sqlite
1
radial-pair-correlation-function
1
radial-distribution-function
1
radial-basis-function
1
quasi-harmonic-approximation
1
quantum-espresso
1
preprocessing
1
postprocessing
1
polynomial-regression
1
parameter-sweep
1
multivariate-regression
1
molecular-dynamics
1
lammps
1
kernel-ridge-regression
1
kernel-regression
1
cpmd
1
ase
1