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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 778 363
dbcsr dbcsr Public

DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran 134 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 778 GPL-2.0 363 122 (3 issues need help) 4 Updated Jun 12, 2024
dbcsr Public
DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran 134 GPL-2.0 45 63 (1 issue needs help) 3 Updated Jun 12, 2024
cp2k-output-tools Public
Python tools to handle CP2K output files

Python 25 MIT 18 1 4 Updated Jun 10, 2024
cp2k-input-tools Public
Fully validating pure-python CP2K input file tools including preprocessing capabilities

Python 39 MIT 10 8 4 Updated Jun 10, 2024
cp2k-containers Public
CP2K containers

Dockerfile 5 GPL-2.0 1 0 1 Updated Jun 4, 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
libint-cp2k Public

Dockerfile 2 2 0 0 Updated Dec 16, 2021

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Python Fortran Dockerfile Vim Script

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cp2k hpc python

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