Components: Classical Contributions#
Components: Classical contributions#
This module contains the classical energy contribution of xTB. The classical contribution currently comprise:
repulsion (GFN1-xTB, GFN2-xTB)
halogen bonding correction (GFN1-xTB).
dispersion correction (GFN1-xTB, GFN2-xTB).
Below, you can find the detailed documentation.