Type | Location | Extends | Description |
---|---|---|---|
d4_model | dftd4_model_d4 | dispersion_model | D4 dispersion model to evaluate C6 coefficients |
d4s_model | dftd4_model_d4s | dispersion_model | D4S dispersion model to evaluate C6 coefficients |
damping_param | dftd4_damping | None | |
dftd_options | dftd4_compat | None | |
dftd_parameter | dftd4_compat | None | |
dftd_results | dftd4_compat | None | |
dispersion_model | dftd4_model_type | None | Abstract base dispersion model to evaluate C6 coefficients |
enum_ref | dftd4_model_type | None | Possible reference charges for D4 |
functional_group | dftd4_param | None | Group different spellings/names of functionals |
mctc_logger | dftd4_compat | None | |
molecule | dftd4_compat | None | |
rational_damping_param | dftd4_damping_rational | damping_param | Rational (Becke-Johnson) damping model |
realspace_cutoff | dftd4_cutoff | None | Collection of real space cutoffs |
vp_error | dftd4_api | None | Void pointer to error handle |
vp_model | dftd4_api | None | Void pointer to dispersion model |
vp_param | dftd4_api | None | Void pointer to damping parameters |
vp_structure | dftd4_api | None | Void pointer to molecular structure data |
ws_cell | dftd4_compat | None |