Package etomica.virial

Class ClusterWheatleySoftDerivativesMix

java.lang.Object

etomica.virial.ClusterWheatleySoftDerivatives

etomica.virial.ClusterWheatleySoftDerivativesMix

All Implemented Interfaces:

ClusterAbstract, ClusterAbstractMultivalue

public class ClusterWheatleySoftDerivativesMix
extends ClusterWheatleySoftDerivatives

Nested Class Summary

Nested classes/interfaces inherited from class etomica.virial.ClusterWheatleySoftDerivatives

ClusterWheatleySoftDerivatives.ClusterRetrievePrimes, ClusterWheatleySoftDerivatives.ClusterRetrievePrimesBD

Field Summary

Fields

Modifier and Type	Field	Description
protected MayerFunction[][]	fMap
protected MayerFunction[][]	mixF
protected int[]	nTypes

Fields inherited from class etomica.virial.ClusterWheatleySoftDerivatives

avgAbsCheck, avgAbsCheckBD, BDAccFrac, beta, binomial, checkFac, clusterBD, count, cPairID, debug, doCaching, f, fA, fB, fC, fQ, lastCPairID, lastValue, lastValueBD, n, nCheck, nCheckTot, nDer, pushme, pushmeval, random, randomJustChecking, rCut2, SoftBDcount, stepcount, timeBD, tol, totcount, value, valueBD

Constructor Summary

Constructors

Constructor	Description
ClusterWheatleySoftDerivativesMix(int nPoints, int[] nTypes, MayerFunction[][] f, double tol, int nDer)

Method Summary

Modifier and Type	Method	Description
ClusterAbstract	makeCopy()	Returns another instance of an identical cluster (shallow copy).
void	setTolerance(double newTol)
protected void	updateF(BoxCluster box)

Methods inherited from class etomica.virial.ClusterWheatleySoftDerivatives

calcFullFQ, calcValue, getAllLastValues, getAverageCheck, getAverageCheckBD, getNumBDChecks, getNumCheckVisits, getNumValues, getSoftBDcount, getSoftBDfrac, getSoftcount, getTimeBD, pointCount, printCheckData, setBDAccFrac, setDoCaching, setNumBDCheckBins, setRCut, setTemperature, value, valueIsBD

Methods inherited from class java.lang.Object

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

Field Detail

mixF

protected final MayerFunction[][] mixF

nTypes

protected final int[] nTypes

fMap

protected final MayerFunction[][] fMap

Constructor Detail

ClusterWheatleySoftDerivativesMix

public ClusterWheatleySoftDerivativesMix(int nPoints,
                                         int[] nTypes,
                                         MayerFunction[][] f,
                                         double tol,
                                         int nDer)

Method Detail

setTolerance

public void setTolerance(double newTol)

Overrides:

setTolerance in class ClusterWheatleySoftDerivatives

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 ClusterWheatleySoftDerivatives

updateF

protected void updateF(BoxCluster box)

Overrides:

updateF in class ClusterWheatleySoftDerivatives