DFTB+ developers group

Various projects related to the DFTB+ software package

Pinned Repositories

develguide
DFTB+ developer guide
2 7 55
dftbplus
DFTB+ general package for performing fast atomistic simulations
Language:Fortran339 20 319166
dftbplus-ase
DFTB+ calculator for ASE
Language:Python6 6 13
dftd3-lib
Library version of S. Grimmes DFTD3 code.
Language:Fortran11 7 34
hsd-python
Python routines to manipulate HSD data
Language:Python5 7 96
mpifx
Modern Fortran wrappers around MPI routines
Language:Fortran34 7 1513
recipes
DFTB+ recipes
10 6 923
scalapackfx
Modern Fortran wrappers around ScaLAPACK routines
Language:Fortran18 7 66
skpar
Language:Python10 8 59
skprogs
Basic programs for generating Slater-Koster files for the DFTB-method
Language:Fortran25 5 3719

DFTB+ developers group's Repositories

dftbplus/dftbplus
DFTB+ general package for performing fast atomistic simulations
Language:Fortran339 20 319166
dftbplus/mpifx
Modern Fortran wrappers around MPI routines
Language:Fortran34 7 1513
dftbplus/skprogs
Basic programs for generating Slater-Koster files for the DFTB-method
Language:Fortran25 5 3719
dftbplus/scalapackfx
Modern Fortran wrappers around ScaLAPACK routines
Language:Fortran18 7 66
dftbplus/dftd3-lib
Library version of S. Grimmes DFTD3 code.
Language:Fortran11 7 34
dftbplus/recipes
DFTB+ recipes
10 6 923
dftbplus/skpar
Language:Python10 8 59
dftbplus/dftbplus-ase
DFTB+ calculator for ASE
Language:Python6 6 13
dftbplus/hsd-python
Python routines to manipulate HSD data
Language:Python5 7 96
dftbplus/develguide
DFTB+ developer guide
2 7 55
dftbplus/develpages
Files and scripts used to generate DFTB+ developer pages
Language:SCSS1 6 12
dftbplus/testparams
Parametrisations used for testing DFTB+
1 6 04
dftbplus/dftbplus.github.io
Github pages for dftbplus
Language:CSS6 11
dftbplus/libnegf
Language:Fortran2 0