Package etomica.virial

Class ClusterSumMultibody

java.lang.Object

etomica.virial.ClusterSum

etomica.virial.ClusterSumMultibody

All Implemented Interfaces:

ClusterAbstract

Direct Known Subclasses:

ClusterSumMultibodyShell

public class ClusterSumMultibody
extends ClusterSum

Cluster class capable of computing multibody (up to 6th order) contributions to diagrams. Currently, only one type of non-additive Mayer function may be used, although some framework is in place to handle more than one.

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected MayerFunctionNonAdditive[]	fNonAdditive
protected int[][]	fNonAdditiveNeeded
protected double[][]	fNonAdditiveValues
protected MoleculeArrayList	moleculeList
protected int[]	numNonAdditiveNeeded
protected double	pushR2
protected double[]	r2

Fields inherited from class etomica.virial.ClusterSum

beta, clusters, clusterWeights, cPairID, debug, doCaching, f, fOld, fullBondIndexArray, fValues, lastCPairID, lastValue, value

Constructor Summary

Constructors

Constructor	Description
ClusterSumMultibody(ClusterBonds[] subClusters, double[] subClusterWeights, MayerFunction[] fArray, MayerFunctionNonAdditive[] fNonAdditive)

Method Summary

Modifier and Type	Method	Description
protected void	calcValue()
protected void	doSearch(int size, int id)
protected void	doUpdateFMulti(int size, IMoleculeList molecules, CoordinatePairSet cPairs)
double[][]	getFNonAdditiveValues()
static java.lang.String	m2s(IMoleculeList list)
ClusterAbstract	makeCopy()	Returns another instance of an identical cluster (shallow copy).
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 etomica.virial.ClusterSum

getClusters, getFValues, getTemperature, getWeights, pointCount, setCaching, setTemperature

Methods inherited from class java.lang.Object

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

Field Detail

fNonAdditive

protected final MayerFunctionNonAdditive[] fNonAdditive

fNonAdditiveValues

protected double[][] fNonAdditiveValues

moleculeList

protected final MoleculeArrayList moleculeList

fNonAdditiveNeeded

protected final int[][] fNonAdditiveNeeded

numNonAdditiveNeeded

protected final int[] numNonAdditiveNeeded

r2

protected final double[] r2

pushR2

protected final double pushR2

See Also:

Constant Field Values

Constructor Detail

ClusterSumMultibody

public ClusterSumMultibody(ClusterBonds[] subClusters,
                           double[] subClusterWeights,
                           MayerFunction[] fArray,
                           MayerFunctionNonAdditive[] fNonAdditive)

Method Detail

doSearch

protected void doSearch(int size,
                        int id)

makeCopy

public ClusterAbstract makeCopy()

Description copied from interface: ClusterAbstract

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

Specified by:

makeCopy in interface ClusterAbstract

Overrides:

makeCopy in class ClusterSum

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

Overrides:

value in class ClusterSum

calcValue

protected void calcValue()

Overrides:

calcValue in class ClusterSum

updateF

protected void updateF(BoxCluster box)

Overrides:

updateF in class ClusterSum

m2s

public static java.lang.String m2s(IMoleculeList list)

doUpdateFMulti

protected void doUpdateFMulti(int size,
                              IMoleculeList molecules,
                              CoordinatePairSet cPairs)

getFNonAdditiveValues

public double[][] getFNonAdditiveValues()