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CP2K

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https://www.cp2k.org/

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cp2k cp2k Public

Quantum chemistry and solid state physics software package

Fortran 773 362
dbcsr dbcsr Public

DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran 132 45

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All Dockerfile Fortran Python Vim Script

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Last updated Name Stars

Showing 9 of 9 repositories

cp2k Public
Quantum chemistry and solid state physics software package

Fortran 773 GPL-2.0 362 122 (3 issues need help) 6 Updated May 29, 2024
dbcsr Public
DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran 132 GPL-2.0 45 64 (1 issue needs help) 3 Updated May 29, 2024
cp2k-output-tools Public
Python tools to handle CP2K output files

Python 23 MIT 19 1 4 Updated May 27, 2024
cp2k-input-tools Public
Fully validating pure-python CP2K input file tools including preprocessing capabilities

Python 37 MIT 11 7 4 Updated May 27, 2024
vim-cp2k Public
Syntax highlighting in Vim for CP2K input files

Vim Script 8 1 1 0 Updated May 25, 2024
cp2k-data Public
CP2K data

Fortran 1 GPL-2.0 3 0 0 Updated May 13, 2024
cp2k-ci Public
CP2K Continuous Integration

Python 0 GPL-2.0 2 8 0 Updated May 2, 2024
cp2k-containers Public
CP2K containers

Dockerfile 5 GPL-2.0 0 0 0 Updated Jan 9, 2024
libint-cp2k Public

Dockerfile 2 2 0 0 Updated Dec 16, 2021

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cp2k hpc python

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