DFTB+ developers group

Various projects related to the DFTB+ software package

Pinned Repositories

develguide
DFTB+ developer guide
2 6 55
dftbplus
DFTB+ general package for performing fast atomistic simulations
Language:Fortran327 22 319165
dftbplus-ase
DFTB+ calculator for ASE
Language:Python6 5 13
dftd3-lib
Library version of S. Grimmes DFTD3 code.
Language:Fortran11 6 34
hsd-python
Python routines to manipulate HSD data
Language:Python5 6 96
mpifx
Modern Fortran wrappers around MPI routines
Language:Fortran34 6 1513
recipes
DFTB+ recipes
9 5 922
scalapackfx
Modern Fortran wrappers around ScaLAPACK routines
Language:Fortran17 6 66
skpar
Language:Python10 7 59
skprogs
Basic programs for generating Slater-Koster files for the DFTB-method
Language:Fortran25 6 3118

DFTB+ developers group's Repositories

dftbplus/dftbplus
DFTB+ general package for performing fast atomistic simulations
Language:Fortran327 22 319165
dftbplus/mpifx
Modern Fortran wrappers around MPI routines
Language:Fortran34 6 1513
dftbplus/skprogs
Basic programs for generating Slater-Koster files for the DFTB-method
Language:Fortran25 6 3118
dftbplus/scalapackfx
Modern Fortran wrappers around ScaLAPACK routines
Language:Fortran17 6 66
dftbplus/dftd3-lib
Library version of S. Grimmes DFTD3 code.
Language:Fortran11 6 34
dftbplus/skpar
Language:Python10 7 59
dftbplus/recipes
DFTB+ recipes
9 5 922
dftbplus/dftbplus-ase
DFTB+ calculator for ASE
Language:Python6 5 13
dftbplus/hsd-python
Python routines to manipulate HSD data
Language:Python5 6 96
dftbplus/develguide
DFTB+ developer guide
2 6 55
dftbplus/develpages
Files and scripts used to generate DFTB+ developer pages
Language:SCSS1 5 12
dftbplus/testparams
Parametrisations used for testing DFTB+
1 5 04
dftbplus/dftbplus.github.io
Github pages for dftbplus
Language:CSS5 11
dftbplus/libnegf
Language:Fortran2 0