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@dftbplus

DFTB+ Project

Various projects related to the DFTB+ software package

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  1. dftbplus dftbplus Public

    DFTB+ general package for performing fast atomistic simulations

    Fortran 435 195

  2. recipes recipes Public

    DFTB+ recipes

    11 28

  3. mpifx mpifx Public

    Modern Fortran wrappers around MPI routines

    Fortran 36 13

  4. scalapackfx scalapackfx Public

    Modern Fortran wrappers around ScaLAPACK routines

    Fortran 18 7

  5. hsd-python hsd-python Public

    Python routines to manipulate HSD data

    Python 6 6

Repositories

Showing 10 of 14 repositories
  • testparams Public

    Parametrisations used for testing DFTB+

    dftbplus/testparams's past year of commit activity
    2 4 0 0 Updated Sep 18, 2026
  • develguide Public

    DFTB+ developer guide

    dftbplus/develguide's past year of commit activity
    1 5 2 0 Updated Sep 18, 2026
  • dftbplus Public

    DFTB+ general package for performing fast atomistic simulations

    dftbplus/dftbplus's past year of commit activity
    Fortran 435 195 52 45 Updated Sep 15, 2026
  • scalapackfx Public

    Modern Fortran wrappers around ScaLAPACK routines

    dftbplus/scalapackfx's past year of commit activity
    Fortran 18 BSD-2-Clause 7 2 2 Updated Jul 5, 2026
  • hsd-python Public

    Python routines to manipulate HSD data

    dftbplus/hsd-python's past year of commit activity
    Python 6 BSD-2-Clause 6 7 3 Updated May 31, 2026
  • recipes Public

    DFTB+ recipes

    dftbplus/recipes's past year of commit activity
    11 CC-BY-SA-4.0 28 2 4 Updated May 27, 2026
  • mpifx Public

    Modern Fortran wrappers around MPI routines

    dftbplus/mpifx's past year of commit activity
    Fortran 36 BSD-2-Clause 13 8 3 Updated Dec 17, 2025
  • libnegf Public Forked from libnegf/libnegf
    dftbplus/libnegf's past year of commit activity
    Fortran 0 14 0 1 Updated Nov 18, 2025
  • skprogs Public

    Basic programs for generating Slater-Koster files for the DFTB-method

    dftbplus/skprogs's past year of commit activity
    Fortran 31 LGPL-3.0 21 11 3 Updated Feb 6, 2025
  • dftbplus.github.io Public

    Github pages for dftbplus

    dftbplus/dftbplus.github.io's past year of commit activity
    CSS 0 1 0 0 Updated Feb 6, 2024
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