DFTB+ developers group

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

dftbplus

DFTB+ general package for performing fast atomistic simulations

quantum-mechanics density-functional-theory tight-binding atomistic-simulations dftb

Fortran 62 41 Updated Oct 17, 2018

phonopy

Forked from atztogo/phonopy

Phonon code

C 59 BSD-3-Clause Updated Sep 20, 2018

dftd3-lib

Library version of S. Grimmes DFTD3 code.

Fortran 5 2 Updated Sep 13, 2018

testparams

Parametrisations used for testing DFTB+

Updated Aug 31, 2018

recipes

DFTB+ recipes

dftbplus user-documentation

5 CC-BY-SA-4.0 Updated Jul 24, 2018

scalapackfx

Modern Fortran wrappers around ScaLAPACK routines

fortran scalapack wrappers

M4 7 3 BSD-2-Clause Updated Mar 1, 2018

mpifx

Modern Fortran wrappers around MPI routines

fortran mpi wrappers

Fortran 11 5 BSD-2-Clause Updated Mar 1, 2018

develguide

DFTB+ developer guide

developer-documentation dftbplus

3 Updated Feb 6, 2018

dftbplus.github.io

Github pages for dftbplus

HTML 1 Updated Jan 21, 2018

develpages

Files and scripts used to generate DFTB+ developer pages

CSS Updated Jan 16, 2018

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