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dftbplus
dftbplus PublicForked from dftbplus/dftbplus
DFTB+ general package for performing fast atomistic simulations
Fortran
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NCIAtlas
NCIAtlas PublicForked from Honza-R/NCIAtlas
Computational chemistry benchmark data sets for non-covalent interactions
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skprogs
skprogs PublicForked from dftbplus/skprogs
Basic programs for generating Slater-Koster files for the DFTB-method
Fortran
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testparams
testparams PublicForked from dftbplus/testparams
Parametrisations used for testing DFTB+
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