9 projects
tad-dftd3
Torch autodiff DFT-D3 implementation
tad-mctc
Torch Autodiff Utility
tad-dftd4
Torch autodiff DFT-D4 implementation
tad-libcint
"Torch Autodiff Libcint Interface"
tad-multicharge
Torch Autodiff implementation of charge models
dftd4
Python API of the DFT-D4 project
xtb
Python API for the extended tight-binding program
tblite
Light-weight tight-binding framework
dftd3
Python API of the DFT-D3 project