/tools/cp2k-input-tools
cp2k-input-tools
cp2k/cp2k-input-tools
57 stars12 forksPythonAdded February 5, 2026
summary
The cp2k-input-tools repository offers a set of pure-Python tools for creating, validating, and converting CP2K input files. It includes features for generating new input configurations and parsing existing ones, facilitating the use of CP2K for molecular simulations.
description
Fully validating pure-python CP2K input file tools including preprocessing capabilities
topics
cp2kparserpython
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