Package etomica.potential

Class PotentialCalculationPhiSum

java.lang.Object

etomica.potential.PotentialCalculationPhiSum

All Implemented Interfaces:

PotentialCalculation, PotentialCalculationMolecular

public class PotentialCalculationPhiSum
extends java.lang.Object
implements PotentialCalculationMolecular

Field Summary

Fields

Modifier and Type	Field	Description
protected Vector[]	a
protected Vector	Ai
protected Vector	Aj
protected DipoleSource	dipoleSource
protected Vector	dr
protected Vector	ei
protected Vector	ej
protected Vector	fieldE
protected Tensor	iT
protected double	secondDerivativeSum

Constructor Summary

Constructors

Constructor	Description
PotentialCalculationPhiSum(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	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

fieldE

protected Vector fieldE

ei

protected Vector ei

ej

protected Vector ej

Ai

protected Vector Ai

Aj

protected Vector Aj

dr

protected Vector dr

secondDerivativeSum

protected double secondDerivativeSum

dipoleSource

protected DipoleSource dipoleSource

a

protected final Vector[] a

iT

protected final Tensor iT

Constructor Detail

PotentialCalculationPhiSum

public PotentialCalculationPhiSum(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.

setDipoleSource

public void setDipoleSource(DipoleSource newDipoleSource)

zeroSum

public void zeroSum()

getSum

public double getSum()

Returns the current value of the energy sum.