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@CPMD-code Car-Parrinello Molecular Dynamics

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    7 repositories

    • 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
      •12•35•14•1•Updated Jan 24, 2023Jan 24, 2023

    • clabot-config

      Public
      CLA bot configuration for CPMD.
      0•0•0•0•Updated Jan 13, 2023Jan 13, 2023

    • .github

      Public
      Repository for CPMD-code Organization
      1•1•0•0•Updated Jan 3, 2023Jan 3, 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
      •3•0•0•0•Updated Jan 3, 2023Jan 3, 2023

    • Addons

      Public
      Additional packages developed by the CPMD community and part of the CPMD distribution
      Fortran
      •
      MIT License
      •2•0•0•0•Updated Jan 3, 2023Jan 3, 2023

    • cpqa

      Public
      CP Quality Assurance (part of the CP2K distribution)
      Python
      •
      GNU General Public License v3.0
      •1•0•0•0•Updated Dec 23, 2022Dec 23, 2022