5.48. extras.dispersionΒΆ
Dispersion correction interface.
All necessary dependencies to use this extra can be installed with:
pip install eminus[dispersion]
Functions
Calculate the DFT-D3 dispersion correction energy. |
Dispersion correction interface.
All necessary dependencies to use this extra can be installed with:
pip install eminus[dispersion]
Functions
Calculate the DFT-D3 dispersion correction energy. |