Package etomica.normalmode

Class MeterWorkHarmonicTargetandReweighting

java.lang.Object

etomica.normalmode.MeterWorkHarmonicTargetandReweighting

All Implemented Interfaces:

IDataSource

public class MeterWorkHarmonicTargetandReweighting
extends java.lang.Object
implements IDataSource

Meter used for overlap sampling in the harmonic-sampled system. The meter measures the energy difference for the harmonic and target potentials. the sampling of A gives us the information of a. < beta*U_AW >A : notation ---- [ betaUABf_avg ] b. < beta*U_AW >W : notation ---- [ betaUABr_avg ] ---------- U_AW = U_A - U_W output the probability distribution of the histogram for a. and b. Key: a. eA = e^(-beta*U_A) b. eB = e^(-beta*U_B) c. eW = e^(-beta*U_W)

Field Summary

Fields

Modifier and Type	Field	Description
protected double	betaUAB
protected double	betaUAW
protected double	betaUAWf
protected DataDouble	data
protected DataDouble.DataInfoDouble	dataInfo
protected double	denomSum
protected HistogramSimple	histogramUAWf
protected HistogramReweightedData	histogramUAWr
protected double	latticeEnergy
protected MCMoveHarmonic	mcMoveHarmonic
protected MeterPotentialEnergy	meterEnergy
protected double	nSamples
protected double	numSum
protected double	refPref
protected DataTag	tag
protected double	temperature
protected DataSourceIndependentSimple	xDataSource

Constructor Summary

Constructors

Constructor	Description
MeterWorkHarmonicTargetandReweighting(MCMoveHarmonic mcMoveHarmonic, PotentialMaster potentialMaster, double ref)

Method Summary

Modifier and Type	Method	Description
double	getBetaUAWf()
double	getBetaUAWr()
IData	getData()
IData	getDataHistogramBetaUAWf()
IData	getDataHistogramBetaUAWr()
IDataInfo	getDataInfo()
IDataInfo	getDataInfoHistogramBetaUAWf()
IDataInfo	getDataInfoHistogramBetaUAWr()
DataTag	getTag()
double	getTemperature()
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 DataDouble data

dataInfo

protected final DataDouble.DataInfoDouble dataInfo

tag

protected final DataTag tag

latticeEnergy

protected double latticeEnergy

betaUAW

protected double betaUAW

betaUAB

protected double betaUAB

betaUAWf

protected double betaUAWf

refPref

protected final double refPref

histogramUAWf

protected HistogramSimple histogramUAWf

histogramUAWr

protected HistogramReweightedData histogramUAWr

nSamples

protected double nSamples

numSum

protected double numSum

denomSum

protected double denomSum

xDataSource

protected DataSourceIndependentSimple xDataSource

Constructor Detail

MeterWorkHarmonicTargetandReweighting

public MeterWorkHarmonicTargetandReweighting(MCMoveHarmonic mcMoveHarmonic,
                                             PotentialMaster potentialMaster,
                                             double ref)

Method Detail

getData

public IData getData()

Specified by:

getData in interface IDataSource

Returns:

the data given by this source

setLatticeEnergy

public void setLatticeEnergy(double newLatticeEnergy)

setTemperature

public void setTemperature(double newTemperature)

getTemperature

public double getTemperature()

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

getDataHistogramBetaUAWf

public IData getDataHistogramBetaUAWf()

getDataInfoHistogramBetaUAWf

public IDataInfo getDataInfoHistogramBetaUAWf()

getDataHistogramBetaUAWr

public IData getDataHistogramBetaUAWr()

getDataInfoHistogramBetaUAWr

public IDataInfo getDataInfoHistogramBetaUAWr()

getBetaUAWf

public double getBetaUAWf()

getBetaUAWr

public double getBetaUAWr()