Pinned Repositories
dftbplus
DFTB+ general package for performing fast atomistic simulations
DFTBparaopt
DFTB parameter optimization tools
dftbplus
DFTB+ general package for performing fast atomistic simulations
NCIAtlas
Computational chemistry benchmark data sets for non-covalent interactions
testparams4mdftb
vnquanvuong's Repositories
vnquanvuong/DFTBparaopt
DFTB parameter optimization tools
vnquanvuong/dftbplus
DFTB+ general package for performing fast atomistic simulations
vnquanvuong/NCIAtlas
Computational chemistry benchmark data sets for non-covalent interactions
vnquanvuong/testparams4mdftb