CP2K

All

10 repositories

dbcsr
Public
DBCSR: Distributed Block Compressed Sparse Row matrix library
linear-algebra mpi matrix-multiplication blas sparse-matrix cp2k gemm openmp-parallelization hpc cuda
Fortran
•
GNU General Public License v2.0
•47•135•68•3•Updated Dec 23, 2024Dec 23, 2024
cp2k-output-tools
Public
Python tools to handle CP2K output files
python cp2k
Python
•
MIT License
•18•38•1•3•Updated Dec 23, 2024Dec 23, 2024
cp2k-input-tools
Public
Fully validating pure-python CP2K input file tools including preprocessing capabilities
python parser cp2k
Python
•
MIT License
•10•51•8•4•Updated Dec 23, 2024Dec 23, 2024
cp2k
Public
Quantum chemistry and solid state physics software package
hpc quantum-chemistry material-science simulation
Fortran
•
GNU General Public License v2.0
•390•869•137•4•Updated Dec 22, 2024Dec 22, 2024
vim-cp2k
Public
Syntax highlighting in Vim for CP2K input files
Vim Script
•1•8•1•0•Updated Dec 7, 2024Dec 7, 2024
cp2k-examples
Public
Jupyter Notebook
•5•4•0•1•Updated Nov 25, 2024Nov 25, 2024
cp2k-containers
Public
CP2K containers
Dockerfile
•
GNU General Public License v2.0
•1•9•0•1•Updated Sep 10, 2024Sep 10, 2024
cp2k-ci
Public
CP2K Continuous Integration
Python
•
GNU General Public License v2.0
•2•0•8•0•Updated Jun 27, 2024Jun 27, 2024
cp2k-data
Public
CP2K data
Fortran
•
GNU General Public License v2.0
•3•1•0•0•Updated May 13, 2024May 13, 2024
libint-cp2k
Public
Dockerfile
•2•2•0•0•Updated Dec 16, 2021Dec 16, 2021