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recipes Public
Forked from dftbplus/recipesDFTB+ recipes
Creative Commons Attribution Share Alike 4.0 International UpdatedDec 19, 2025 -
dftbplus Public
Forked from dftbplus/dftbplusDFTB+ general package for performing fast atomistic simulations
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mpifx Public
Forked from dftbplus/mpifxModern Fortran wrappers around MPI routines
Fortran BSD 2-Clause "Simplified" License UpdatedNov 18, 2025 -
xtb Public
Forked from grimme-lab/xtbSemiempirical Extended Tight-Binding Program Package
Fortran GNU Lesser General Public License v3.0 UpdatedNov 8, 2025 -
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fypp Public
Forked from aradi/fyppPython powered Fortran preprocessor
Python BSD 2-Clause "Simplified" License UpdatedOct 12, 2025 -
dnaoad_preprocessed Public
Preprocessor driven version of DNAOAD library
Fortran UpdatedOct 12, 2025 -
cookiecutter-fortran-project Public
Forked from fortuno-repos/cookiecutter-fortran-projectCookiecutter templates for creating modern Fortran projects that are ready to build, run, test, and install
CMake Other UpdatedAug 31, 2025 -
scalapackfx Public
Forked from dftbplus/scalapackfxModern Fortran wrappers around ScaLAPACK routines
Fortran BSD 2-Clause "Simplified" License UpdatedAug 12, 2025 -
testparams Public
Forked from dftbplus/testparamsParametrisations used for testing DFTB+
UpdatedJun 16, 2025 -
DNAOAD Public
Forked from fpenunuri/DNAOADAutomatic differentiation
Fortran Other UpdatedMay 15, 2025 -
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tblite Public
Forked from tblite/tbliteLight-weight tight-binding framework
Fortran GNU Lesser General Public License v3.0 UpdatedOct 26, 2024 -
skprogs Public
Forked from dftbplus/skprogsBasic programs for generating Slater-Koster files for the DFTB-method
Fortran GNU Lesser General Public License v3.0 UpdatedMay 5, 2024 -
dftbp-extmodel Public
External model for DFTB+ code via a library
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libmsym Public
Forked from mcodev31/libmsymmolecular point group symmetry lib
C MIT License UpdatedOct 28, 2023 -
fortuno Public
Forked from aradi/fortuno.oldUser friendly, flexible and extensible object-oriented Fortran unit testing framework for testing serial, MPI-parallelized and coarray-parallelized applications
Fortran Other UpdatedOct 4, 2023 -
toml-f Public
Forked from toml-f/toml-fTOML parser implementation for data serialization and deserialization in Fortran
Fortran Apache License 2.0 UpdatedMay 23, 2023 -
simple-dftd3 Public
Forked from dftd3/simple-dftd3reimplementation of the DFT-D3 program
Fortran GNU Lesser General Public License v3.0 UpdatedNov 7, 2022 -
fytest Public
Forked from aradi/fytestInstant unit testing framework for Fortran
Fortran BSD 2-Clause "Simplified" License UpdatedOct 16, 2022 -
daresbury_xTB Public
Forked from awvwgk/daresburyMaterial for the DFTB+ school in Daresbury 2022
TeX The Unlicense UpdatedJun 14, 2022 -
real-time-TDDFTB-Daresbury Public
Forked from charlymedrano7/real-time-TDDFTB-DaresburyWorkshop Ehrenfest
Python UpdatedJun 8, 2022 -
CCS Public
Forked from Teoroo-CMC/CCSCurvature Constrained Splines
Python GNU General Public License v3.0 UpdatedJun 8, 2022 -
dftbplus_restarter Public
Forked from korintje/dftbplus_restarterScripts to easily prepare input files to restart DFTB+ MD simulations
Python Creative Commons Zero v1.0 Universal UpdatedJun 3, 2022 -
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develpages Public
Forked from dftbplus/develpagesFiles and scripts used to generate DFTB+ developer pages
SCSS UpdatedJan 13, 2022 -
dftd3-lib Public
Forked from dftbplus/dftd3-libLibrary version of S. Grimmes DFTD3 code.
Fortran Other UpdatedJan 13, 2022 -
hsd-python Public
Forked from dftbplus/hsd-pythonPython routines to manipulate HSD data
Python BSD 2-Clause "Simplified" License UpdatedJan 13, 2022 -
dftbplus.github.io Public
Forked from dftbplus/dftbplus.github.ioGithub pages for dftbplus
JavaScript UpdatedJan 13, 2022
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