Package etomica.potential

Class PotentialCalculationFSum

java.lang.Object

etomica.potential.PotentialCalculationFSum

All Implemented Interfaces:

PotentialCalculation, PotentialCalculationMolecular

public class PotentialCalculationFSum
extends java.lang.Object
implements PotentialCalculationMolecular

Field Summary

Fields

Modifier and Type	Field	Description
protected double	bt
protected DipoleSource	dipoleSource
protected Vector	dr
protected Vector	ei
protected Vector	ej
protected double	FSum
protected double	J
protected double	mu
protected double	Q

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationFSum(Space space, double dipoleMagnitude, double interactionS, double temperature)

Method Summary

Modifier and Type	Method	Description
void	doCalculation(IAtomList atoms, IPotentialAtomic potential)	Method giving the specific calculation performed by this class.
void	doCalculation(IMoleculeList molecules, IPotentialMolecular potential)	Method giving the specific calculation performed by this class.
double	getSum()	Returns the current value of the energy sum.
void	setDipoleSource(DipoleSource newDipoleSource)
void	zeroSum()

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

ei

protected final Vector ei

ej

protected final Vector ej

Q

protected final double Q

mu

protected final double mu

J

protected final double J

bt

protected final double bt

dr

protected Vector dr

FSum

protected double FSum

dipoleSource

protected DipoleSource dipoleSource

Constructor Detail

PotentialCalculationFSum

public PotentialCalculationFSum(Space space,
                                double dipoleMagnitude,
                                double interactionS,
                                double temperature)

Method Detail

doCalculation

public void doCalculation(IAtomList atoms,
                          IPotentialAtomic potential)

Description copied from interface: PotentialCalculation

Method giving the specific calculation performed by this class.

Specified by:

doCalculation in interface PotentialCalculation

Parameters:

atoms - IAtomSet the atom sets for which the calculation is performed.

potential - The potential used to apply the action defined by this class.

doCalculation

public void doCalculation(IMoleculeList molecules,
                          IPotentialMolecular potential)

Description copied from interface: PotentialCalculationMolecular

Method giving the specific calculation performed by this class.

Specified by:

doCalculation in interface PotentialCalculationMolecular

Parameters:

molecules - IAtomSet the atom sets for which the calculation is performed.

potential - The potential used to apply the action defined by this class.

setDipoleSource

public void setDipoleSource(DipoleSource newDipoleSource)

zeroSum

public void zeroSum()

getSum

public double getSum()

Returns the current value of the energy sum.