MeterDDP

java.lang.Object
- etomica.normalmode.MeterDDP

All Implemented Interfaces:

IDataSource
```
public class MeterDDP
extends java.lang.Object
implements IDataSource
```
Meter that measures the overlap averages for perturbing from a solid at one density into other densities. The atoms are scaled back toward their lattice sites by a factor that depends on the density change and an estimate deltaA/deltaV. Different scalings are applied for different estimates of deltaA/deltaV, with alpha=1 used (for the overlap average) for each scaling.

Field Summary

Fields
Modifier and Type	Field	Description
`protected CoordinateDefinition`	`coordinateDefinition`
`protected DataDoubleArray`	`data`
`protected DataDoubleArray.DataInfoDoubleArray`	`dataInfo`
`protected java.io.FileWriter`	`fw`
`protected boolean`	`linPSpan`
`protected MeterPotentialEnergy`	`meterPotential`
`protected int`	`numP`
`protected double[]`	`otherDensities`
`protected double[][]`	`p`
`protected P1ConstraintNbr`	`p1`
`protected double[]`	`pCenter`
`protected PotentialMaster`	`potentialMaster`
`protected Box`	`pretendBox`
`protected double`	`pSpan`
`protected ISpecies`	`species`
`protected DataTag`	`tag`
`protected double`	`temperature`
`static Function`	`uLat0`	Nominal function for lattice energy
`protected Function`	`uLatFunction`
`protected Vector`	`work`

Constructor Summary

Constructors
Constructor Description

MeterDDP(PotentialMaster potentialMaster, ISpecies species, Space space, Simulation sim)

Constructors
Constructor	Description
`MeterDDP(PotentialMaster potentialMaster, ISpecies species, Space space, Simulation sim)`

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`protected double`	`constraintEnergy(Box box)`	Returns true if all atoms in the given box satisfy p1's constraint
`CoordinateDefinition`	`getCoordinateDefinition()`
`IData`	`getData()`
`IDataInfo`	`getDataInfo()`
`double[]`	`getOtherDensities()`
`double[]`	`getP(int iP)`
`double`	`getPCenter(int iTemp)`
`DataTag`	`getTag()`
`double`	`getTemperature()`
`Function`	`getULatFunction()`
`protected void`	`initP()`
`void`	`setConstraint(P1ConstraintNbr p1)`
`void`	`setCoordinateDefinition(CoordinateDefinition newCoordinateDefinition)`
`void`	`setExpPSpan(double newPSpan)`
`void`	`setLinPSpan(double newPSpan)`
`void`	`setNumP(int newNumP)`
`void`	`setOtherDensities(double[] otherDensities)`
`void`	`setPCenter(double[] newPCenter)`
`void`	`setTemperature(double temperature)`
`void`	`setULatFunction(Function newULatFunction)`	Sets a function that returns the lattice energy for a given density.

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

meterPotential

protected final MeterPotentialEnergy meterPotential

potentialMaster

protected final PotentialMaster potentialMaster

temperature
```
protected double temperature
```

otherDensities
```
protected double[] otherDensities
```

dataInfo

protected DataDoubleArray.DataInfoDoubleArray dataInfo

data
```
protected DataDoubleArray data
```

tag
```
protected final DataTag tag
```

pretendBox
```
protected final Box pretendBox
```

coordinateDefinition

protected CoordinateDefinition coordinateDefinition

species
```
protected final ISpecies species
```

p
```
protected double[][] p
```

pCenter
```
protected double[] pCenter
```

pSpan
```
protected double pSpan
```

linPSpan
```
protected boolean linPSpan
```

numP
```
protected int numP
```

p1
```
protected P1ConstraintNbr p1
```

work
```
protected final Vector work
```

uLatFunction
```
protected Function uLatFunction
```

fw
```
protected java.io.FileWriter fw
```

uLat0
```
public static final Function uLat0
```
Nominal function for lattice energy

Constructor Detail

MeterDDP

public MeterDDP(PotentialMaster potentialMaster,
                ISpecies species,
                Space space,
                Simulation sim)

Method Detail

getDataInfo
```
public IDataInfo getDataInfo()
```
Specified by:

getDataInfo in interface IDataSource

getTag
```
public DataTag getTag()
```
Specified by:

getTag in interface IDataSource

Returns:

a tag that uniquely identifies the IDataInfo

setULatFunction
```
public void setULatFunction(Function newULatFunction)
```
Sets a function that returns the lattice energy for a given density. If not set, the default lattice energy is taken to be 0 for all densities.

getULatFunction
```
public Function getULatFunction()
```

getData
```
public IData getData()
```
Specified by:

getData in interface IDataSource

Returns:

the data given by this source

constraintEnergy
```
protected double constraintEnergy(Box box)
```
Returns true if all atoms in the given box satisfy p1's constraint

getTemperature
```
public double getTemperature()
```

setTemperature

public void setTemperature(double temperature)

getOtherDensities

public double[] getOtherDensities()

setOtherDensities

public void setOtherDensities(double[] otherDensities)

initP
```
protected void initP()
```

getP
```
public double[] getP(int iP)
```

getPCenter

public double getPCenter(int iTemp)

setPCenter

public void setPCenter(double[] newPCenter)

setExpPSpan

public void setExpPSpan(double newPSpan)

setLinPSpan

public void setLinPSpan(double newPSpan)

setNumP
```
public void setNumP(int newNumP)
```

getCoordinateDefinition

public CoordinateDefinition getCoordinateDefinition()

setCoordinateDefinition

public void setCoordinateDefinition(CoordinateDefinition newCoordinateDefinition)

setConstraint

public void setConstraint(P1ConstraintNbr p1)

Class MeterDDP

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

meterPotential

potentialMaster

temperature

otherDensities

dataInfo

data

tag

pretendBox

coordinateDefinition

species

p

pCenter

pSpan

linPSpan

numP

p1

work

uLatFunction

fw

uLat0

Constructor Detail

MeterDDP

Method Detail

getDataInfo

getTag

setULatFunction

getULatFunction

getData

constraintEnergy

getTemperature

setTemperature

getOtherDensities

setOtherDensities

initP

getP

getPCenter

setPCenter

setExpPSpan

setLinPSpan

setNumP

getCoordinateDefinition

setCoordinateDefinition

setConstraint