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    10 repositories

    • cp2k-output-tools

      Public
      Python tools to handle CP2K output files
      pythoncp2k
      Python
      •
      MIT License
      •19•46•2•5•Updated Jan 15, 2026Jan 15, 2026

    • cp2k

      Public
      Quantum chemistry and solid state physics software package
      simulationhpcquantum-chemistrymaterial-science
      Fortran
      •
      GNU General Public License v2.0
      •439•1.1k•118•0•Updated Jan 14, 2026Jan 14, 2026

    • dbcsr

      Public
      DBCSR: Distributed Block Compressed Sparse Row matrix library
      hpclinear-algebrampicudamatrix-multiplicationblassparse-matrixcp2kgemmopenmp-parallelization
      Fortran
      •
      GNU General Public License v2.0
      •53•149•67•2•Updated Jan 14, 2026Jan 14, 2026

    • cp2k-ci

      Public
      CP2K Continuous Integration
      Python
      •
      GNU General Public License v2.0
      •2•0•8•0•Updated Jan 13, 2026Jan 13, 2026

    • cp2k-input-tools

      Public
      Fully validating pure-python CP2K input file tools including preprocessing capabilities
      pythonparsercp2k
      Python
      •
      MIT License
      •12•56•10•3•Updated Jan 12, 2026Jan 12, 2026

    • vim-cp2k

      Public
      Syntax highlighting in Vim for CP2K input files
      Vim Script
      •2•10•1•0•Updated Jan 8, 2026Jan 8, 2026

    • cp2k-examples

      Public
      Jupyter Notebook
      •8•11•0•0•Updated Oct 14, 2025Oct 14, 2025

    • cp2k-containers

      Public
      CP2K containers
      Dockerfile
      •
      GNU General Public License v2.0
      •5•16•0•1•Updated Aug 19, 2025Aug 19, 2025

    • cp2k-data

      Public
      CP2K data
      Fortran
      •
      GNU General Public License v2.0
      •3•2•0•0•Updated May 13, 2024May 13, 2024

    • libint-cp2k

      Public
      Dockerfile
      •3•2•0•0•Updated Dec 16, 2021Dec 16, 2021