ClusterWheatleySoftDerivativesBD

java.lang.Object
- etomica.virial.ClusterWheatleySoftDerivativesBD

All Implemented Interfaces:

ClusterAbstract, ClusterAbstractMultivalue

Direct Known Subclasses:

ClusterWheatleyMultibodyDerivativesBD, ClusterWheatleySoftDerivativesMixBD
```
public class ClusterWheatleySoftDerivativesBD
extends java.lang.Object
implements ClusterAbstract, ClusterAbstractMultivalue
```
This class calculates the sum of all biconnected clusters using Wheatley's recursive formulation.

Nested Class Summary

Nested Classes
Modifier and Type Class Description

static class ClusterWheatleySoftDerivativesBD.ClusterRetrievePrimes

Nested Classes
Modifier and Type	Class	Description
`static class`	`ClusterWheatleySoftDerivativesBD.ClusterRetrievePrimes`

Field Summary

Fields
Modifier and Type	Field	Description
`protected java.math.BigDecimal`	`BDbeta`
`static java.math.BigDecimal`	`BDONE`
`static java.math.BigDecimal`	`BDZERO`
`protected double`	`beta`
`protected java.math.BigDecimal[][]`	`binomial`
`protected ClusterWheatleySoftDerivativesBD`	`clusterBDBD`
`protected long`	`cPairID`
`protected boolean`	`debug`
`protected boolean`	`doCaching`
`protected static java.math.BigDecimal`	`E`
`protected java.util.ArrayList<java.math.BigDecimal>`	`Epow`
`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`
`protected int`	`nDer`
`protected int`	`precisionLimit`
`static boolean`	`pushme`
`protected double`	`rCut2`
`protected double`	`tol`
`protected double[]`	`value`

Constructor Summary

Constructors
Constructor	Description
`ClusterWheatleySoftDerivativesBD(int nPoints, MayerFunction f, int precision, int nDer)`

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`protected java.math.BigDecimal`	`BDexp(java.math.BigDecimal val)`
`protected java.math.BigDecimal`	`BDExpInternal(java.math.BigDecimal val)`
`protected java.math.BigDecimal`	`BDlog(java.math.BigDecimal val)`
`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.
`double[]`	`getAllLastValues(BoxCluster box)`
`int`	`getNumValues()`
`void`	`makeClusterBDBD(int newPrecision)`
`ClusterAbstract`	`makeCopy()`	Returns another instance of an identical cluster (shallow copy).
`int`	`pointCount()`	Number of points in the cluster.
`void`	`setDoCaching(boolean newDoCaching)`
`void`	`setPrecisionLimit(int newLimit)`
`void`	`setRCut(double newRCut)`
`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
```

nDer
```
protected final int nDer
```

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

BDONE

public static java.math.BigDecimal BDONE

BDZERO

public static java.math.BigDecimal BDZERO

mc

protected final java.math.MathContext mc

cPairID
```
protected long cPairID
```

lastCPairID
```
protected long lastCPairID
```

value
```
protected final double[] value
```

lastValue
```
protected final double[] lastValue
```

beta
```
protected double beta
```

pushme
```
public static boolean pushme
```

tol
```
protected double tol
```

clusterBDBD

protected ClusterWheatleySoftDerivativesBD clusterBDBD

debug
```
protected boolean debug
```

doCaching
```
protected boolean doCaching
```

binomial

protected final java.math.BigDecimal[][] binomial

BDbeta
```
protected java.math.BigDecimal BDbeta
```

precisionLimit
```
protected int precisionLimit
```

rCut2
```
protected double rCut2
```

E

protected static java.math.BigDecimal E

Epow

protected final java.util.ArrayList<java.math.BigDecimal> Epow

Constructor Detail

ClusterWheatleySoftDerivativesBD

public ClusterWheatleySoftDerivativesBD(int nPoints,
                                        MayerFunction f,
                                        int precision,
                                        int nDer)

Method Detail
- makeClusterBDBD
```
public void makeClusterBDBD(int newPrecision)
```
- setPrecisionLimit
```
public void setPrecisionLimit(int newLimit)
```
- 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
- BDexp
```
protected java.math.BigDecimal BDexp(java.math.BigDecimal val)
```
  Returns:
  
  BigDecimal exp. Should handle any |val| < 2^31
- BDExpInternal
```
protected java.math.BigDecimal BDExpInternal(java.math.BigDecimal val)
```
  Returns:
  
  BigDecimal exponential from Taylor series expansion about x=0
- BDlog
```
protected java.math.BigDecimal BDlog(java.math.BigDecimal val)
```
  Returns:
  
  BigDecimal natural log
- calcFullFQ
```
protected void calcFullFQ(BoxCluster box)
```
  This calculates all FQ values given that the entries for pairs have already been populated.
- setRCut
```
public void setRCut(double newRCut)
```
- 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
- getNumValues
```
public int getNumValues()
```
  Specified by:
  
  getNumValues in interface ClusterAbstractMultivalue
  
  Returns:
  
  number of values returned by getAllLastValues
- getAllLastValues
```
public double[] getAllLastValues(BoxCluster box)
```
  Specified by:
  
  getAllLastValues in interface ClusterAbstractMultivalue

Class ClusterWheatleySoftDerivativesBD

Nested Class Summary

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

n

f

nDer

fQ

fC

fA

fB

BDONE

BDZERO

mc

cPairID

lastCPairID

value

lastValue

beta

pushme

tol

clusterBDBD

debug

doCaching

binomial

BDbeta

precisionLimit

rCut2

E

Epow

Constructor Detail

ClusterWheatleySoftDerivativesBD

Method Detail

makeClusterBDBD

setPrecisionLimit

setDoCaching

makeCopy

pointCount

value

BDexp

BDExpInternal

BDlog

calcFullFQ

setRCut

calcValue

updateF

setTemperature

getNumValues

getAllLastValues