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occ::interaction::EnergyModelBase Class Referenceabstract

#include <energy_model_base.h>

Inheritance diagram for occ::interaction::EnergyModelBase:
[legend]

Public Member Functions

virtual ~EnergyModelBase ()=default
 
virtual CEEnergyComponents compute_energy (const core::Dimer &dimer)=0
 
virtual Mat3N compute_electric_field (const core::Dimer &dimer)=0
 
virtual const std::vector< Vec > & partial_charges () const =0
 
virtual double coulomb_scale_factor () const =0
 

Constructor & Destructor Documentation

◆ ~EnergyModelBase()

virtual occ::interaction::EnergyModelBase::~EnergyModelBase ( )
virtualdefault

Member Function Documentation

◆ compute_electric_field()

virtual Mat3N occ::interaction::EnergyModelBase::compute_electric_field ( const core::Dimer dimer)
pure virtual

◆ compute_energy()

virtual CEEnergyComponents occ::interaction::EnergyModelBase::compute_energy ( const core::Dimer dimer)
pure virtual

◆ coulomb_scale_factor()

virtual double occ::interaction::EnergyModelBase::coulomb_scale_factor ( ) const
pure virtual

◆ partial_charges()

virtual const std::vector< Vec > & occ::interaction::EnergyModelBase::partial_charges ( ) const
pure virtual

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