Derived Types

TypeLocationExtendsDescription
app_configdftd3_app_cliNone
argument_listdftd3_app_argumentNone

Argument list class

d3_modeldftd3_modelNone

Base D3 dispersion model to evaluate C6 coefficients

d3_paramdftd3_paramNone
damping_paramdftd3_dampingNone
mzero_damping_paramdftd3_damping_mzerodamping_param

Modified zero damping model

optimizedpower_damping_paramdftd3_damping_optimizedpowerdamping_param

Optimized power damping model

param_configdftd3_app_cliapp_config
param_databasedftd3_app_tomlNone

Damping parameter database

rational_damping_paramdftd3_damping_rationaldamping_param

Rational (Becke-Johnson) damping model

realspace_cutoffdftd3_cutoffNone

Collection of real space cutoffs

run_configdftd3_app_cliapp_config
vp_errordftd3_apiNone

Void pointer to error handle

vp_modeldftd3_apiNone

Void pointer to dispersion model

vp_paramdftd3_apiNone

Void pointer to damping parameters

vp_structuredftd3_apiNone

Void pointer to molecular structure data

zero_damping_paramdftd3_damping_zerodamping_param

Zero (Chai-Head-Gordon) damping model