DFTB+ developers group

Repositories

• dftbplus

  DFTB+ general package for performing fast atomistic simulations

  quantum-mechanics density-functional-theory tight-binding atomistic-simulations dftb
  Fortran 96 159 57 23 Updated Feb 24, 2021

• phonopy

  Forked from phonopy/phonopy

  Phonon code
  Python BSD-3-Clause 145 0 0 0 Updated Feb 21, 2021

• libnegf

  Forked from libnegf/libnegf
  Fortran 7 0 0 0 Updated Jan 4, 2021

• develguide

  DFTB+ developer guide

  developer-documentation dftbplus
  5 1 1 0 Updated Dec 21, 2020

• recipes

  DFTB+ recipes

  dftbplus user-documentation
  CC-BY-SA-4.0 10 0 0 0 Updated Dec 17, 2020

• skprogs

  Basic programs for generating Slater-Koster files for the DFTB-method
  Fortran LGPL-3.0 4 3 1 0 Updated Nov 24, 2020

• mpifx

  Modern Fortran wrappers around MPI routines

  fortran mpi wrappers
  Fortran BSD-2-Clause 8 16 3 1 Updated Nov 7, 2020

• scalapackfx

  Modern Fortran wrappers around ScaLAPACK routines

  fortran scalapack wrappers
  Fortran BSD-2-Clause 5 11 3 0 Updated Nov 3, 2020

• hsd-python

  Python routines to manipulate HSD data
  Python BSD-2-Clause 4 3 7 2 Updated Aug 8, 2020

• dftbplus.github.io

  Github pages for dftbplus
  JavaScript 1 0 0 0 Updated Mar 26, 2020

• develpages

  Files and scripts used to generate DFTB+ developer pages
  CSS 1 0 1 1 Updated Mar 25, 2020

• testparams

  Parametrisations used for testing DFTB+
  1 0 0 0 Updated Oct 6, 2019

• dftd3-lib

  Library version of S. Grimmes DFTD3 code.
  Fortran 4 7 0 0 Updated Feb 13, 2019

• skpar

  Forked from smarkov/skpar
  Python 5 0 0 0 Updated Dec 10, 2018