Projects in Awesome Lists by dftbplus
A curated list of projects in awesome lists by dftbplus .
https://github.com/dftbplus/dftbplus
DFTB+ general package for performing fast atomistic simulations
atomistic-simulations density-functional-theory dftb quantum-mechanics tight-binding
Last synced: 22 Feb 2026
https://github.com/dftbplus/mpifx
Modern Fortran wrappers around MPI routines
Last synced: 24 Feb 2026
https://github.com/dftbplus/scalapackfx
Modern Fortran wrappers around ScaLAPACK routines
Last synced: 22 Feb 2026
https://github.com/dftbplus/hsd-python
Python routines to manipulate HSD data
Last synced: 04 Mar 2026
https://github.com/dftbplus/testparams
Parametrisations used for testing DFTB+
Last synced: 31 Jan 2026
https://github.com/dftbplus/develguide
DFTB+ developer guide
developer-documentation dftbplus
Last synced: 31 Jan 2026