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CP2K

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

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cp2k cp2k Public

Quantum chemistry and solid state physics software package

Fortran 1k 436
dbcsr dbcsr Public

DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran 147 52

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All Dockerfile Fortran Jupyter Notebook Python Vim Script

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Showing 10 of 10 repositories

cp2k Public
Quantum chemistry and solid state physics software package

cp2k/cp2k’s past year of commit activity

Fortran 1,036 GPL-2.0 436 112 (2 issues need help) 5 Updated Dec 22, 2025
dbcsr Public
DBCSR: Distributed Block Compressed Sparse Row matrix library

cp2k/dbcsr’s past year of commit activity

Fortran 147 GPL-2.0 52 67 (1 issue needs help) 2 Updated Dec 22, 2025
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 55 MIT 12 10 2 Updated Dec 22, 2025
cp2k-output-tools Public
Python tools to handle CP2K output files

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

Python 45 MIT 19 2 4 Updated Dec 22, 2025
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 Dec 18, 2025
cp2k-examples Public

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

Jupyter Notebook 10 8 0 0 Updated Oct 14, 2025
cp2k-ci Public
CP2K Continuous Integration

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

Python 0 GPL-2.0 2 9 0 Updated Oct 7, 2025
cp2k-containers Public
CP2K containers

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

Dockerfile 15 GPL-2.0 5 0 1 Updated Aug 19, 2025
cp2k-data Public
CP2K data

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

Fortran 1 GPL-2.0 3 0 0 Updated May 13, 2024
libint-cp2k Public

cp2k/libint-cp2k’s past year of commit activity

Dockerfile 2 3 0 0 Updated Dec 16, 2021

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Python Fortran Dockerfile Jupyter Notebook Vim Script

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cp2k hpc python

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