Package etomica.virial

Class ClusterWheatleySoftBD

java.lang.Object

etomica.virial.ClusterWheatleySoftBD

All Implemented Interfaces:

ClusterAbstract

Direct Known Subclasses:

ClusterWheatleyMultibodyBD, ClusterWheatleySoftMixBD

public class ClusterWheatleySoftBD
extends java.lang.Object
implements ClusterAbstract

This class calculates the sum of all biconnected clusters using Wheatley's recursive formulation.

Field Summary

Fields

Modifier and Type	Field	Description
static java.math.BigDecimal	BDONE
static java.math.BigDecimal	BDZERO
protected double	beta
protected long	cPairID
protected boolean	doCaching
protected MayerFunction	f
protected java.math.BigDecimal[]	fA
protected java.math.BigDecimal[]	fB
protected java.math.BigDecimal[]	fC
protected java.math.BigDecimal[]	fQ
protected long	lastCPairID
protected double	lastValue
protected java.math.MathContext	mc
protected int	n
static boolean	pushme
protected double	tol
protected double	value

Constructor Summary

Constructors

Constructor	Description
ClusterWheatleySoftBD(int nPoints, MayerFunction f, int precision)

Method Summary

Modifier and Type	Method	Description
protected void	calcFullFQ(BoxCluster box)	This calculates all FQ values given that the entries for pairs have already been populated.
void	calcValue(BoxCluster box)	Returns the cluster value for the given configuration.
ClusterAbstract	makeCopy()	Returns another instance of an identical cluster (shallow copy).
int	pointCount()	Number of points in the cluster.
void	setDoCaching(boolean newDoCaching)
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

n

protected final int n

f

protected final MayerFunction f

fQ

protected final java.math.BigDecimal[] fQ

fC

protected final java.math.BigDecimal[] fC

fA

protected final java.math.BigDecimal[] fA

fB

protected final java.math.BigDecimal[] fB

cPairID

protected long cPairID

lastCPairID

protected long lastCPairID

value

protected double value

lastValue

protected double lastValue

beta

protected double beta

pushme

public static boolean pushme

BDONE

public static java.math.BigDecimal BDONE

BDZERO

public static java.math.BigDecimal BDZERO

mc

protected final java.math.MathContext mc

tol

protected double tol

doCaching

protected boolean doCaching

Constructor Detail

ClusterWheatleySoftBD

public ClusterWheatleySoftBD(int nPoints,
                             MayerFunction f,
                             int precision)

Method Detail

setDoCaching

public void setDoCaching(boolean newDoCaching)

makeCopy

public ClusterAbstract makeCopy()

Description copied from interface: ClusterAbstract

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

Specified by:

makeCopy in interface ClusterAbstract

pointCount

public int pointCount()

Description copied from interface: ClusterAbstract

Number of points in the cluster.

Specified by:

pointCount in interface ClusterAbstract

Returns:

int

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

calcFullFQ

protected void calcFullFQ(BoxCluster box)

This calculates all FQ values given that the entries for pairs have already been populated.

calcValue

public void calcValue(BoxCluster box)

Returns the cluster value for the given configuration. You must call doCheck(BoxCluster) before calling this method.

updateF

protected void updateF(BoxCluster box)

setTemperature

public void setTemperature(double temperature)

Specified by:

setTemperature in interface ClusterAbstract