occ::interaction::CEModelInteraction Struct Reference

#include <pairinteraction.h>

Public Member Functions
	CEModelInteraction (const CEParameterizedModel &)
CEEnergyComponents	operator() (Wavefunction &, Wavefunction &) const
void	set_use_density_fitting (bool value=true)
void	compute_monomer_energies (Wavefunction &) const
void	set_use_xdm_dimer_parameters (bool value=true)
bool	using_xdm_dimer_parameters () const
const auto &	scale_factors () const

Constructor & Destructor Documentation

CEModelInteraction()

occ::interaction::CEModelInteraction::CEModelInteraction

(

const CEParameterizedModel &

)

Member Function Documentation

compute_monomer_energies()

void occ::interaction::CEModelInteraction::compute_monomer_energies

(

Wavefunction &

)

const

operator()()

CEEnergyComponents occ::interaction::CEModelInteraction::operator()	(	Wavefunction &	,
		Wavefunction &
	)		const

scale_factors()

const auto & occ::interaction::CEModelInteraction::scale_factors ( ) const

inline

set_use_density_fitting()

void occ::interaction::CEModelInteraction::set_use_density_fitting

(

bool

value = true

)

set_use_xdm_dimer_parameters()

void occ::interaction::CEModelInteraction::set_use_xdm_dimer_parameters

(

bool

value = true

)

using_xdm_dimer_parameters()

bool occ::interaction::CEModelInteraction::using_xdm_dimer_parameters ( ) const

inline

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The documentation for this struct was generated from the following file:

• /home/runner/work/occ/occ/include/occ/interaction/pairinteraction.h