DistGeom::FourthDimContribs Class Reference

#include <FourthDimContribs.h>

Inheritance diagram for DistGeom::FourthDimContribs:

Public Member Functions
	FourthDimContribs ()=default
	FourthDimContribs (ForceFields::ForceField *owner)
	Constructor.
void	addContrib (unsigned int idx, double weight)
double	getEnergy (double *pos) const override
	return the contribution of this contrib to the energy of a given state
void	getGrad (double *pos, double *grad) const override
FourthDimContribs *	copy () const override
	return a copy
bool	empty () const
unsigned int	size () const
Public Member Functions inherited from ForceFields::ForceFieldContrib
	ForceFieldContrib ()
	ForceFieldContrib (ForceFields::ForceField *owner)
virtual	~ForceFieldContrib ()

Additional Inherited Members
Protected Attributes inherited from ForceFields::ForceFieldContrib
ForceField *	dp_forceField {nullptr}
	our owning ForceField

Detailed Description

A term used in penalizing the 4th dimension in order to move from 4D->3D

Definition at line 29 of file FourthDimContribs.h.

Constructor & Destructor Documentation

FourthDimContribs() [1/2]

DistGeom::FourthDimContribs::FourthDimContribs ( )

default

Referenced by copy().

FourthDimContribs() [2/2]

DistGeom::FourthDimContribs::FourthDimContribs ( ForceFields::ForceField * owner )

inline

Constructor.

Parameters

owner	pointer to the owning ForceField
idx	the index of the atom to be considered
weight	(optional) the weight to be used for this contrib

Definition at line 41 of file FourthDimContribs.h.

References ForceFields::ForceField::dimension(), ForceFields::ForceFieldContrib::dp_forceField, and PRECONDITION.

Member Function Documentation

addContrib()

void DistGeom::FourthDimContribs::addContrib ( unsigned int idx, double weight )

inline

Definition at line 47 of file FourthDimContribs.h.

copy()

FourthDimContribs * DistGeom::FourthDimContribs::copy ( ) const

inlineoverridevirtual

return a copy

Implements ForceFields::ForceFieldContrib.

Definition at line 73 of file FourthDimContribs.h.

References FourthDimContribs().

empty()

bool DistGeom::FourthDimContribs::empty ( ) const

inline

Definition at line 76 of file FourthDimContribs.h.

getEnergy()

double DistGeom::FourthDimContribs::getEnergy ( double * pos ) const

inlineoverridevirtual

return the contribution of this contrib to the energy of a given state

Implements ForceFields::ForceFieldContrib.

Definition at line 52 of file FourthDimContribs.h.

References PRECONDITION.

getGrad()

void DistGeom::FourthDimContribs::getGrad ( double * pos, double * grad ) const

inlineoverridevirtual

calculate the contribution of this contrib to the gradient at a given state

Implements ForceFields::ForceFieldContrib.

Definition at line 65 of file FourthDimContribs.h.

References PRECONDITION.

size()

unsigned int DistGeom::FourthDimContribs::size ( ) const

inline

Definition at line 77 of file FourthDimContribs.h.

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

• FourthDimContribs.h