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CP2K

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https://www.cp2k.org/

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cp2k Public

Quantum chemistry and solid state physics software package

Fortran 590 312
dbcsr Public

DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran 93 38

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All Dockerfile Fortran Python Vim Script

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dbcsr Public
DBCSR: Distributed Block Compressed Sparse Row matrix library

Fortran 93 GPL-2.0 38 58 (1 issue needs help) 3 Updated Apr 8, 2023
vim-cp2k Public

Vim Script 8 1 1 0 Updated Apr 6, 2023
cp2k-ci Public
CP2K Continuous Integration

Python 0 GPL-2.0 2 14 0 Updated Apr 5, 2023
cp2k Public
Quantum chemistry and solid state physics software package

Fortran 590 GPL-2.0 311 83 (3 issues need help) 3 Updated Apr 5, 2023
cp2k-data Public

Fortran 0 3 0 0 Updated Apr 3, 2023
cp2k-output-tools Public
Python tools to handle CP2K output files

Python 19 MIT 17 0 2 Updated Jan 2, 2023
cp2k-input-tools Public
Fully validating pure-python CP2K input file tools including preprocessing capabilities

Python 27 MIT 9 6 3 Updated Oct 3, 2022
libint-cp2k Public

Dockerfile 2 3 0 0 Updated Dec 16, 2021
cp2k-toolchain Public
CP2K Toolchain Scripts based on Spack

Python 2 MIT 0 0 0 Updated Dec 3, 2019
dbcsr-data Public
Training data to predict optimal Cuda kernel parameters

0 0 0 0 Updated Jan 21, 2019

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