Pinned repositories

  1. dftbplus

    DFTB+ general package for performing fast atomistic simulations

    Fortran 62 41

  2. recipes

    DFTB+ recipes

    5

  3. develguide

    DFTB+ developer guide

    3

  4. mpifx

    Modern Fortran wrappers around MPI routines

    Fortran 11 5

  5. scalapackfx

    Modern Fortran wrappers around ScaLAPACK routines

    M4 7 3

  • DFTB+ general package for performing fast atomistic simulations

    Fortran 62 41 Updated Oct 17, 2018
  • Phonon code

    C 59 BSD-3-Clause Updated Sep 20, 2018
  • Library version of S. Grimmes DFTD3 code.

    Fortran 5 2 Updated Sep 13, 2018
  • Parametrisations used for testing DFTB+

    Updated Aug 31, 2018
  • DFTB+ recipes

    5 CC-BY-SA-4.0 Updated Jul 24, 2018
  • Modern Fortran wrappers around ScaLAPACK routines

    M4 7 3 BSD-2-Clause Updated Mar 1, 2018
  • Modern Fortran wrappers around MPI routines

    Fortran 11 5 BSD-2-Clause Updated Mar 1, 2018
  • DFTB+ developer guide

    3 Updated Feb 6, 2018
  • Github pages for dftbplus

    HTML 1 Updated Jan 21, 2018
  • Files and scripts used to generate DFTB+ developer pages

    CSS Updated Jan 16, 2018
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