CP2K

cp2k Public

Quantum chemistry and solid state physics software package

Fortran 839 GPL-2.0 382 141 (4 issues need help) 4 Updated Sep 27, 2024

vim-cp2k Public

Syntax highlighting in Vim for CP2K input files

Vim Script 8 1 1 0 Updated Sep 27, 2024

dbcsr Public

DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran 135 GPL-2.0 47 69 (1 issue needs help) 2 Updated Sep 24, 2024

Python tools to handle CP2K output files

Python 30 MIT 18 1 3 Updated Sep 23, 2024

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

Python 45 MIT 10 8 4 Updated Sep 23, 2024

CP2K containers

Dockerfile 6 GPL-2.0 1 0 1 Updated Sep 10, 2024

Jupyter Notebook 0 2 0 0 Updated Jul 25, 2024

cp2k-ci Public

CP2K Continuous Integration

Python 0 GPL-2.0 2 8 0 Updated Jun 27, 2024

CP2K data

Fortran 1 GPL-2.0 3 0 0 Updated May 13, 2024

Dockerfile 2 2 0 0 Updated Dec 16, 2021

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