Package etomica.virial

Class ClusterSumPolarizable

java.lang.Object

etomica.virial.ClusterSumPolarizable

All Implemented Interfaces:

ClusterAbstract, java.io.Serializable

public class ClusterSumPolarizable
extends java.lang.Object
implements ClusterAbstract, java.io.Serializable

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected double	deltaCut2
protected boolean	doCaching
double	pushR2
protected MoleculeArrayList	scfAtoms
protected double[][]	uijPol

Constructor Summary

Constructors

Constructor	Description
ClusterSumPolarizable(ClusterBonds[] subClusters, double[] subClusterWeights, MayerFunction[] fArray)	Constructor for ClusterSum.

Method Summary

Modifier and Type	Method	Description
ClusterBonds[]	getClusters()
double	getDeltaCut()
double	getTemperature()
ClusterAbstract	makeCopy()	Returns another instance of an identical cluster (shallow copy).
int	pointCount()	Number of points in the cluster.
void	setCaching(boolean doCaching)
void	setDeltaCut(double newDeltaDCut)
void	setTemperature(double temperature)
double	value(BoxCluster box)	Value of this cluster for the given pairset at the specified reciprocal temperature.

Methods inherited from class java.lang.Object

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

Field Detail

scfAtoms

protected final MoleculeArrayList scfAtoms

deltaCut2

protected double deltaCut2

uijPol

protected final double[][] uijPol

pushR2

public double pushR2

doCaching

protected boolean doCaching

Constructor Detail

ClusterSumPolarizable

public ClusterSumPolarizable(ClusterBonds[] subClusters,
                             double[] subClusterWeights,
                             MayerFunction[] fArray)

Constructor for ClusterSum.

Method Detail

pointCount

public int pointCount()

Description copied from interface: ClusterAbstract

Number of points in the cluster.

Specified by:

pointCount in interface ClusterAbstract

Returns:

int

makeCopy

public ClusterAbstract makeCopy()

Description copied from interface: ClusterAbstract

Returns another instance of an identical cluster (shallow copy).

Specified by:

makeCopy in interface ClusterAbstract

setCaching

public void setCaching(boolean doCaching)

value

public double value(BoxCluster box)

Description copied from interface: ClusterAbstract

Value of this cluster for the given pairset at the specified reciprocal temperature.

Specified by:

value in interface ClusterAbstract

getClusters

public ClusterBonds[] getClusters()

getTemperature

public double getTemperature()

Returns:

Returns the temperature.

setTemperature

public void setTemperature(double temperature)

Specified by:

setTemperature in interface ClusterAbstract

Parameters:

temperature - The temperature to set.

setDeltaCut

public void setDeltaCut(double newDeltaDCut)

getDeltaCut

public double getDeltaCut()