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    10 repositories

    • .github

      Public
      Repository for CPMD-code Organization
      1•0•0•0•Updated Jan 8, 2025Jan 8, 2025

    • cpqa

      Public
      CP Quality Assurance (part of the CP2K distribution)
      Python
      •
      GNU General Public License v3.0
      •2•0•0•0•Updated Sep 25, 2024Sep 25, 2024

    • CPMD

      Public
      The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
      Fortran
      •
      MIT License
      •13•1•4•0•Updated Sep 17, 2024Sep 17, 2024

    • Quick-Tutorial

      Public
      A (not so) random walk across the input and output files of CPMD
      0•0•0•0•Updated Jun 28, 2024Jun 28, 2024

    • Addons

      Public
      Additional packages developed by the CPMD community and part of the CPMD distribution
      Fortran
      •
      MIT License
      •3•0•0•0•Updated Mar 22, 2024Mar 22, 2024

    • GTH-pseudopotentials

      Public
      Collection of Goedecker-Teter-Hutter pseudopotentials for all elements (by M. Boero)
      1•0•0•0•Updated Feb 21, 2024Feb 21, 2024

    • pseudopotentials-extended-library

      Public
      Collection of benchmarked pseudopotentials for the CPMD code (README included in the package)
      1•0•0•0•Updated Feb 21, 2024Feb 21, 2024

    • Benchmarks

      Public
      Benchmark input files for openCPMD
      MIT License
      •1•0•0•0•Updated Aug 20, 2023Aug 20, 2023

    • Tests

      Public
      Test suite for the CPMD distribution
      Roff
      •
      MIT License
      •1•0•0•0•Updated Jan 3, 2023Jan 3, 2023

    • Regtests

      Public
      Regression tests for the CPMD distribution
      Visual Basic .NET
      •
      MIT License
      •4•0•0•0•Updated Jan 3, 2023Jan 3, 2023