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CP2K

179 followers
https://www.cp2k.org/

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cp2k cp2k Public

Quantum chemistry and solid state physics software package

Fortran 1.2k 500
dbcsr dbcsr Public

DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran 156 58

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All Dockerfile Fortran Jupyter Notebook Python Vim Script

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Showing 9 of 9 repositories

cp2k-ci Public
CP2K Continuous Integration

cp2k/cp2k-ci's past year of commit activity

Python 0 GPL-2.0 3 8 0 Updated Sep 16, 2026
vim-cp2k Public
Syntax highlighting in Vim for CP2K input files

cp2k/vim-cp2k's past year of commit activity

Vim Script 10 2 1 0 Updated Sep 16, 2026
cp2k Public
Quantum chemistry and solid state physics software package

cp2k/cp2k's past year of commit activity

Fortran 1,207 GPL-2.0 499 103 (9 issues need help) 13 Updated Sep 16, 2026
dbcsr Public
DBCSR: Distributed Block Compressed Sparse Row matrix library

cp2k/dbcsr's past year of commit activity

Fortran 156 GPL-2.0 58 71 (1 issue needs help) 4 Updated Sep 15, 2026
cp2k-input-tools Public
Fully validating pure-python CP2K input file tools including preprocessing capabilities

cp2k/cp2k-input-tools's past year of commit activity

Python 62 MIT 15 8 8 Updated Sep 14, 2026
cp2k-output-tools Public
Python tools to handle CP2K output files

cp2k/cp2k-output-tools's past year of commit activity

Python 54 MIT 19 4 5 Updated Sep 14, 2026
cp2k-containers Public
CP2K containers

cp2k/cp2k-containers's past year of commit activity

Dockerfile 16 GPL-2.0 5 0 1 Updated Aug 20, 2026
cp2k-data Public
CP2K data

cp2k/cp2k-data's past year of commit activity

Fortran 2 GPL-2.0 4 0 0 Updated May 13, 2026
cp2k-examples Public

cp2k/cp2k-examples's past year of commit activity

Jupyter Notebook 21 11 0 0 Updated Apr 26, 2026

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Python Fortran Jupyter Notebook Dockerfile Vim Script

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cp2k hpc python

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