Package etomica.virial

Class ClusterBondsNonAdditive

java.lang.Object

etomica.virial.ClusterBonds

etomica.virial.ClusterBondsNonAdditive

public class ClusterBondsNonAdditive
extends ClusterBonds

Subclass of ClusterBonds capable of handling non-additive Mayer functions.

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected int[][]	multiBonds

Fields inherited from class etomica.virial.ClusterBonds

bondIndexArray, nPermutations, nPoints, permutations, rPermutations, usePermutations

Constructor Summary

Constructors

Constructor	Description
ClusterBondsNonAdditive(int[][] bondIndexArray, int[][] multiBonds)
ClusterBondsNonAdditive(int n, int[][][] pairBonds, int[][] multiBonds)	Construct a ClusterBondsNonAdditive of size n, using the given list of pair and multibonds.

Method Summary

Modifier and Type	Method	Description
int[][]	getMultiBonds()	Returns the list of multiBonds to multiply.
double	value(double[][][] fValues, double[][] fMultiValues)

Methods inherited from class etomica.virial.ClusterBonds

getBondIndexArray, isUsePermutations, main, nPermutations, pointCount, setUsePermutations, toString, value, valueUsingPermutations

Methods inherited from class java.lang.Object

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

Field Detail

multiBonds

protected final int[][] multiBonds

Constructor Detail

ClusterBondsNonAdditive

public ClusterBondsNonAdditive(int n,
                               int[][][] pairBonds,
                               int[][] multiBonds)

Construct a ClusterBondsNonAdditive of size n, using the given list of pair and multibonds. The pairBonds are indexed by i and j pairs, and then by type of bond. The multibonds are indexed by size of molecular group, and then by groupID.

ClusterBondsNonAdditive

public ClusterBondsNonAdditive(int[][] bondIndexArray,
                               int[][] multiBonds)

Method Detail

value

public double value(double[][][] fValues,
                    double[][] fMultiValues)

getMultiBonds

public int[][] getMultiBonds()

Returns the list of multiBonds to multiply. The list is indexed first by the number of molecules in a group and then by groupID.