Package etomica.virial

Class ClusterSumPolarizableWertheimProduct

java.lang.Object

etomica.virial.ClusterSumPolarizableWertheimProduct

All Implemented Interfaces:

ClusterAbstract, java.io.Serializable

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

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected double	beta
protected ClusterBonds[]	clusters
protected double[]	clusterWeights
protected long	cPairID
protected double	deltaCut2
protected MayerFunction[]	f
protected double[][]	fOld
protected double[][][]	fValues
protected long	lastCPairID
protected double	lastValue
protected int	oldDirtyAtom
double	pushR2
protected MoleculeArrayList	scfAtoms
protected double[][]	uijPol
protected double	value

Constructor Summary

Constructors

Constructor	Description
ClusterSumPolarizableWertheimProduct(ClusterBonds[] subClusters, double[] subClusterWeights, MayerFunction[] fArray)	Constructor for ClusterSum for Wertheim diagram including multi body term.

Method Summary

Modifier and Type	Method	Description
protected void	calcValue()
ClusterBonds[]	getClusters()
double	getDeltaCut()
double[][][]	getFValues()
double	getTemperature()
ClusterAbstract	makeCopy()	Returns another instance of an identical cluster (shallow copy).
int	pointCount()	Number of points in the cluster.
protected void	revertF()
void	setDeltaCut(double newDeltaDCut)
void	setTemperature(double temperature)
protected void	updateF(BoxCluster box)
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

clusters

protected final ClusterBonds[] clusters

clusterWeights

protected final double[] clusterWeights

f

protected final MayerFunction[] f

fValues

protected double[][][] fValues

fOld

protected final double[][] fOld

oldDirtyAtom

protected int oldDirtyAtom

cPairID

protected long cPairID

lastCPairID

protected long lastCPairID

value

protected double value

lastValue

protected double lastValue

beta

protected double beta

scfAtoms

protected final MoleculeArrayList scfAtoms

deltaCut2

protected double deltaCut2

uijPol

protected final double[][] uijPol

pushR2

public double pushR2

Constructor Detail

ClusterSumPolarizableWertheimProduct

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

Constructor for ClusterSum for Wertheim diagram including multi body term.

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

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

calcValue

protected void calcValue()

revertF

protected void revertF()

updateF

protected void updateF(BoxCluster box)

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.

getFValues

public double[][][] getFValues()

setDeltaCut

public void setDeltaCut(double newDeltaDCut)

getDeltaCut

public double getDeltaCut()