| Abstract Interface | Location | Description |
|---|---|---|
| dispersion_interface | dftd4_damping | Evaluation of the dispersion energy expression |
| get_atomic_c6 | dftd4_model_type | Calculate atomic dispersion coefficients and their derivatives w.r.t. the coordination numbers and atomic partial charges. |
| get_polarizibilities | dftd4_model_type | Calculate atomic polarizibilities and their derivatives w.r.t. the coordination numbers and atomic partial charges. |
| pairwise_dispersion_interface | dftd4_damping | Evaluation of the pairwise representation of the dispersion energy |
| weight_references | dftd4_model_type | Calculate the weights of the reference system and the derivatives w.r.t. coordination number for later use. |