Skip to content
@dftd3

DFT-D3

Consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D)

Pinned

  1. simple-dftd3 simple-dftd3 Public

    reimplementation of the DFT-D3 program

    Fortran 42 19

  2. tad-dftd3 tad-dftd3 Public

    PyTorch Autodiff DFT-D3 Implementation.

    Python 6 5

Repositories

Showing 4 of 4 repositories

Top languages

Loading…

Most used topics

Loading…