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CP2K

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

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cp2k cp2k Public

Quantum chemistry and solid state physics software package

Fortran 852 388
dbcsr dbcsr Public

DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran 135 47

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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 852 GPL-2.0 388 149 (4 issues need help) 5 Updated Nov 7, 2024
dbcsr Public
DBCSR: Distributed Block Compressed Sparse Row matrix library

cp2k/dbcsr’s past year of commit activity

Fortran 135 GPL-2.0 47 70 (1 issue needs help) 3 Updated Nov 7, 2024
cp2k-output-tools Public
Python tools to handle CP2K output files

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

Python 32 MIT 18 1 3 Updated Nov 4, 2024
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 47 MIT 10 8 4 Updated Nov 4, 2024
vim-cp2k Public
Syntax highlighting in Vim for CP2K input files

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

Vim Script 8 1 1 0 Updated Oct 24, 2024
cp2k-containers Public
CP2K containers

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

Dockerfile 7 GPL-2.0 1 0 1 Updated Sep 10, 2024
cp2k-examples Public

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

Jupyter Notebook 1 4 0 1 Updated Jul 25, 2024
cp2k-ci Public
CP2K Continuous Integration

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

Python 0 GPL-2.0 2 8 0 Updated Jun 27, 2024
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 2 0 0 Updated Dec 16, 2021

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cp2k hpc python

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