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@dftbplus

DFTB+ developers group

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 333 164

  2. recipes recipes Public

    DFTB+ recipes

    10 22

  3. mpifx mpifx Public

    Modern Fortran wrappers around MPI routines

    Fortran 34 13

  4. scalapackfx scalapackfx Public

    Modern Fortran wrappers around ScaLAPACK routines

    Fortran 17 6

  5. hsd-python hsd-python Public

    Python routines to manipulate HSD data

    Python 5 6

Repositories

Showing 10 of 14 repositories
  • skprogs Public

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

    dftbplus/skprogs’s past year of commit activity
    Fortran 25 LGPL-3.0 19 12 5 Updated Nov 19, 2024
  • libnegf Public Forked from libnegf/libnegf
    dftbplus/libnegf’s past year of commit activity
    Fortran 0 12 0 0 Updated Nov 19, 2024
  • dftbplus Public

    DFTB+ general package for performing fast atomistic simulations

    dftbplus/dftbplus’s past year of commit activity
    Fortran 333 164 51 55 Updated Nov 18, 2024
  • develguide Public

    DFTB+ developer guide

    dftbplus/develguide’s past year of commit activity
    2 5 2 0 Updated Sep 11, 2024
  • scalapackfx Public

    Modern Fortran wrappers around ScaLAPACK routines

    dftbplus/scalapackfx’s past year of commit activity
    Fortran 17 BSD-2-Clause 6 0 1 Updated Sep 6, 2024
  • testparams Public

    Parametrisations used for testing DFTB+

    dftbplus/testparams’s past year of commit activity
    1 4 0 1 Updated Aug 13, 2024
  • mpifx Public

    Modern Fortran wrappers around MPI routines

    dftbplus/mpifx’s past year of commit activity
    Fortran 34 BSD-2-Clause 13 8 2 Updated Jun 23, 2024
  • 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
  • recipes Public

    DFTB+ recipes

    dftbplus/recipes’s past year of commit activity
    10 CC-BY-SA-4.0 22 3 3 Updated Feb 2, 2024
  • hsd-python Public

    Python routines to manipulate HSD data

    dftbplus/hsd-python’s past year of commit activity
    Python 5 BSD-2-Clause 6 7 4 Updated Jan 28, 2024
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