Repositories list

• cp2k

  Public
  Quantum chemistry and solid state physics software package

  hpcquantum-chemistrymaterial-science+ 1simulation

  Fortran

  •

  GNU General Public License v2.0

  •388•865•136•1•Updated Dec 17, 2024Dec 17, 2024

• dbcsr

  Public
  DBCSR: Distributed Block Compressed Sparse Row matrix library

  linear-algebrampimatrix-multiplication+ 7blassparse-matrixcp2kgemmopenmp-parallelizationhpccuda

  Fortran

  •

  GNU General Public License v2.0

  •47•135•68•2•Updated Dec 16, 2024Dec 16, 2024

• cp2k-output-tools

  Public
  Python tools to handle CP2K output files

  pythoncp2k

  Python

  •

  MIT License

  •18•38•1•3•Updated Dec 16, 2024Dec 16, 2024

• cp2k-input-tools

  Public
  Fully validating pure-python CP2K input file tools including preprocessing capabilities

  pythonparsercp2k

  Python

  •

  MIT License

  •10•51•8•4•Updated Dec 16, 2024Dec 16, 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•3•0•1•Updated Nov 25, 2024Nov 25, 2024

• cp2k-containers

  Public
  CP2K containers

  Dockerfile

  •

  GNU General Public License v2.0

  •1•8•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