Type | Location | Extends | Description |
---|---|---|---|
app_config | dftd3_app_cli | None | |
argument_list | dftd3_app_argument | None | Argument list class |
citation_type | dftd3_citation | None | Represents a citation |
d3_model | dftd3_model | None | Base D3 dispersion model to evaluate C6 coefficients |
d3_param | dftd3_param | None | |
damping_param | dftd3_damping | None | |
gcp_config | dftd3_app_cli | app_config | |
gcp_param | dftd3_gcp_param | None | Parameters for the geometric counter-poise correction |
mzero_damping_param | dftd3_damping_mzero | damping_param | Modified zero damping model |
optimizedpower_damping_param | dftd3_damping_optimizedpower | damping_param | Optimized power damping model |
param_config | dftd3_app_cli | app_config | |
param_database | dftd3_app_toml | None | Damping parameter database |
rational_damping_param | dftd3_damping_rational | damping_param | Rational (Becke-Johnson) damping model |
realspace_cutoff | dftd3_cutoff | None | Collection of real space cutoffs |
run_config | dftd3_app_cli | app_config | |
vp_error | dftd3_api | None | Void pointer to error handle |
vp_gcp | dftd3_api | None | Void pointer to counter-poise parameters |
vp_model | dftd3_api | None | Void pointer to dispersion model |
vp_param | dftd3_api | None | Void pointer to damping parameters |
vp_structure | dftd3_api | None | Void pointer to molecular structure data |
zero_damping_param | dftd3_damping_zero | damping_param | Zero (Chai-Head-Gordon) damping model |