dftbplus repositories

14 repositories

dftbplus
Public
DFTB+ general package for performing fast atomistic simulations
quantum-mechanics density-functional-theory tight-binding
quantum-mechanics density-functional-theory tight-binding atomistic-simulations dftb
Fortran
•
Other
•194•434•51•45•Updated Aug 31, 2026Aug 31, 2026
scalapackfx
Public
Modern Fortran wrappers around ScaLAPACK routines
fortran scalapack wrappers
fortran scalapack wrappers
Fortran
•
BSD 2-Clause "Simplified" License
•7•18•2•2•Updated Jul 5, 2026Jul 5, 2026
hsd-python
Public
Python routines to manipulate HSD data
Python
•
BSD 2-Clause "Simplified" License
•6•6•7•3•Updated May 31, 2026May 31, 2026
recipes
Public
DFTB+ recipes
dftbplus user-documentation
dftbplus user-documentation
Creative Commons Attribution Share Alike 4.0 International
•28•10•2•4•Updated May 27, 2026May 27, 2026
testparams
Public
Parametrisations used for testing DFTB+
4•2•0•0•Updated Apr 30, 2026Apr 30, 2026
mpifx
Public
Modern Fortran wrappers around MPI routines
fortran mpi wrappers
fortran mpi wrappers
Fortran
•
BSD 2-Clause "Simplified" License
•13•36•8•2•Updated Dec 17, 2025Dec 17, 2025
libnegf
Public
Fortran
•
Other
•14•0•0•1•Updated Nov 18, 2025Nov 18, 2025
develguide
Public
DFTB+ developer guide
developer-documentation dftbplus
developer-documentation dftbplus
Other
•5•1•2•0•Updated Nov 6, 2025Nov 6, 2025
skprogs
Public
Basic programs for generating Slater-Koster files for the DFTB-method
quantum-mechanics density-functional-theory tight-binding
quantum-mechanics density-functional-theory tight-binding dftb slater-koster
Fortran
•
GNU Lesser General Public License v3.0
•20•31•11•3•Updated Feb 6, 2025Feb 6, 2025
dftbplus.github.io
Public
Github pages for dftbplus
CSS
•1•0•0•0•Updated Feb 6, 2024Feb 6, 2024
skpar
Public
Python
•
Other
•9•10•3•0•Updated Mar 29, 2023Mar 29, 2023
dftbplus-ase
Public
DFTB+ calculator for ASE
Python
•
GNU Lesser General Public License v3.0
•3•6•1•1•Updated Jun 24, 2022Jun 24, 2022
dftd3-lib
Public
Library version of S. Grimmes DFTD3 code.
Fortran
•
Other
•4•12•0•0•Updated May 19, 2022May 19, 2022
develpages
Public
Files and scripts used to generate DFTB+ developer pages
SCSS
•2•1•0•0•Updated Jan 13, 2022Jan 13, 2022

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14 repositories

dftbplus

scalapackfx

hsd-python

recipes

testparams

mpifx

libnegf

develguide

skprogs

dftbplus.github.io

skpar

dftbplus-ase

dftd3-lib

develpages

Repositories list

14 repositories