Package etomica.potential

Class PotentialCalculationPhiSumHeisenberg

java.lang.Object

etomica.potential.PotentialCalculationPhiSumHeisenberg

All Implemented Interfaces:

PotentialCalculation, PotentialCalculationMolecular

public class PotentialCalculationPhiSumHeisenberg
extends java.lang.Object
implements PotentialCalculationMolecular

Field Summary

Fields

Modifier and Type	Field	Description
protected DipoleSource	dipoleSource
protected Vector	dr
protected Vector	ei
protected Vector	ej
protected double	secondDerivativeSum

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationPhiSumHeisenberg(Space space)

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	zeroSum()

Methods inherited from class java.lang.Object

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

Field Detail

ei

protected Vector ei

ej

protected Vector ej

dr

protected Vector dr

secondDerivativeSum

protected double secondDerivativeSum

dipoleSource

protected DipoleSource dipoleSource

Constructor Detail

PotentialCalculationPhiSumHeisenberg

public PotentialCalculationPhiSumHeisenberg(Space space)

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.

zeroSum

public void zeroSum()

getSum

public double getSum()

Returns the current value of the energy sum.