Package etomica.normalmode

Class MeterBoltzmannHarmonic

java.lang.Object

etomica.normalmode.MeterBoltzmannHarmonic

All Implemented Interfaces:

IDataSource

public class MeterBoltzmannHarmonic
extends java.lang.Object
implements IDataSource

Meter used for overlap sampling in the harmonic-sampled system. The meter measures the ratio of the Boltzmann factors for the harmonic and target potentials.

Field Summary

Fields

Modifier and Type	Field	Description
protected DataDoubleArray	data
protected DataDoubleArray.DataInfoDoubleArray	dataInfo
protected double	frac
protected double	latticeEnergy
protected MCMoveHarmonic	mcMoveHarmonic
protected MeterPotentialEnergy	meterEnergy
protected DataTag	tag
protected double	temperature

Constructor Summary

Constructors

Constructor	Description
MeterBoltzmannHarmonic(MCMoveHarmonic mcMoveHarmonic, PotentialMaster potentialMaster)

Method Summary

Modifier and Type	Method	Description
IData	getData()
IDataInfo	getDataInfo()
DataTag	getTag()
double	getTemperature()
void	setFrac(double newFrac)	Sets the fraction that the system is coupled to measured energy.
void	setLatticeEnergy(double newLatticeEnergy)
void	setTemperature(double newTemperature)

Methods inherited from class java.lang.Object

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

Field Detail

temperature

protected double temperature

meterEnergy

protected final MeterPotentialEnergy meterEnergy

mcMoveHarmonic

protected final MCMoveHarmonic mcMoveHarmonic

data

protected final DataDoubleArray data

dataInfo

protected final DataDoubleArray.DataInfoDoubleArray dataInfo

tag

protected final DataTag tag

latticeEnergy

protected double latticeEnergy

frac

protected double frac

Constructor Detail

MeterBoltzmannHarmonic

public MeterBoltzmannHarmonic(MCMoveHarmonic mcMoveHarmonic,
                              PotentialMaster potentialMaster)

Method Detail

setFrac

public void setFrac(double newFrac)

Sets the fraction that the system is coupled to measured energy. measured value = exp(-beta*frac*(delta U))

setTemperature

public void setTemperature(double newTemperature)

getTemperature

public double getTemperature()

getData

public IData getData()

Specified by:

getData in interface IDataSource

Returns:

the data given by this source

setLatticeEnergy

public void setLatticeEnergy(double newLatticeEnergy)

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