CP2K

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cp2k cp2k Public

Quantum chemistry and solid state physics software package

Fortran 808 374
dbcsr dbcsr Public

DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran 136 46

Repositories

cp2k Public
Quantum chemistry and solid state physics software package

cp2k/cp2k’s past year of commit activity

Fortran 808 GPL-2.0 374 132 (4 issues need help) 4 Updated Jul 29, 2024
dbcsr Public
DBCSR: Distributed Block Compressed Sparse Row matrix library

cp2k/dbcsr’s past year of commit activity

Fortran 136 GPL-2.0 46 67 (1 issue needs help) 2 Updated Jul 29, 2024
cp2k-examples Public

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

Jupyter Notebook 0 1 0 0 Updated Jul 25, 2024
cp2k-output-tools Public
Python tools to handle CP2K output files

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

Python 25 MIT 18 1 3 Updated Jul 22, 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 41 MIT 10 8 4 Updated Jul 22, 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 Jul 13, 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-containers Public
CP2K containers

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

Dockerfile 5 GPL-2.0 1 0 1 Updated Jun 4, 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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