MolecularPotentialFunctor Class Reference

#include <electronicstructureapp.h>

Inheritance diagram for MolecularPotentialFunctor:

Collaboration diagram for MolecularPotentialFunctor:

Public Member Functions
	MolecularPotentialFunctor (const MolecularEntity &mentity)
	MolecularPotentialFunctor (const Molecule &molecule)
double	operator() (const coord_3d &x) const
double	operator() (const coordT &x) const
std::vector< coord_3d >	special_points () const

Private Attributes
const MolecularEntity &	_mentity
const Molecule &	molecule

Constructor & Destructor Documentation

MolecularPotentialFunctor() [1/2]

MolecularPotentialFunctor::MolecularPotentialFunctor ( const Molecule & molecule )

inline

References molecule.

MolecularPotentialFunctor() [2/2]

MolecularPotentialFunctor::MolecularPotentialFunctor ( const MolecularEntity & mentity )

inline

References _mentity.

Member Function Documentation

operator()() [1/2]

double MolecularPotentialFunctor::operator() ( const coord_3d & x ) const

inline

References molecule.

operator()() [2/2]

double MolecularPotentialFunctor::operator() ( const coordT & x ) const

inline

References _mentity.

special_points()

std::vector< coord_3d > MolecularPotentialFunctor::special_points ( ) const

inline

References molecule.

Member Data Documentation

_mentity

const MolecularEntity& MolecularPotentialFunctor::_mentity

private

Referenced by MolecularPotentialFunctor(), and operator()().

molecule

const Molecule& MolecularPotentialFunctor::molecule

private

Referenced by MolecularPotentialFunctor(), operator()(), and special_points().

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

• preal.cc
• electronicstructureapp.h