Derived Types

TypeLocationExtendsDescription
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