Package etomica.normalmode

Class MeterWorkTargetHarmonicandReweighting

java.lang.Object

etomica.normalmode.MeterWorkTargetHarmonicandReweighting

All Implemented Interfaces:

IDataSource

public class MeterWorkTargetHarmonicandReweighting
extends java.lang.Object
implements IDataSource

Meter used for overlap sampling in the target-sampled system. The meter measures the energy difference for the harmonic and target potentials. the sampling of B gives us the information of a. < beta*U_BW >B : notation ---- [ betaUBWf_avg ] b. < beta*U_BW >W : notation ---- [ betaUBWr_avg ] ---------- U_BW = U_B - 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	betaUBA
protected double	betaUBW
protected double	betaUBWf
protected DataDouble	data
protected DataDouble.DataInfoDouble	dataInfo
protected double	denomSum
protected HistogramSimple	histogramUBWf
protected HistogramReweightedData	histogramUBWr
protected IntegratorBox	integrator
protected double	latticeEnergy
protected MeterPotentialEnergyFromIntegrator	meterEnergy
protected MeterHarmonicEnergy	meterHarmonicEnergy
protected double	nSamples
protected double	numSum
protected double	refPref
protected DataTag	tag
protected DataSourceIndependentSimple	xDataSource

Constructor Summary

Constructors

Constructor	Description
MeterWorkTargetHarmonicandReweighting(IntegratorBox integrator, MeterHarmonicEnergy meterHarmonicEnergy, double ref)

Method Summary

Modifier and Type	Method	Description
double	getBetaUBWf()
double	getBetaUBWr()
IData	getData()
IData	getDataHistogramBetaUBWf()
IData	getDataHistogramBetaUBWr()
IDataInfo	getDataInfo()
IDataInfo	getDataInfoHistogramBetaUBWf()
IDataInfo	getDataInfoHistogramBetaUBWr()
DataTag	getTag()
void	setLatticeEnergy(double newLatticeEnergy)

Methods inherited from class java.lang.Object

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

Field Detail

meterEnergy

protected final MeterPotentialEnergyFromIntegrator meterEnergy

meterHarmonicEnergy

protected final MeterHarmonicEnergy meterHarmonicEnergy

integrator

protected final IntegratorBox integrator

data

protected final DataDouble data

dataInfo

protected final DataDouble.DataInfoDouble dataInfo

tag

protected final DataTag tag

latticeEnergy

protected double latticeEnergy

betaUBW

protected double betaUBW

betaUBA

protected double betaUBA

betaUBWf

protected double betaUBWf

refPref

protected final double refPref

histogramUBWf

protected HistogramSimple histogramUBWf

histogramUBWr

protected HistogramReweightedData histogramUBWr

nSamples

protected double nSamples

numSum

protected double numSum

denomSum

protected double denomSum

xDataSource

protected DataSourceIndependentSimple xDataSource

Constructor Detail

MeterWorkTargetHarmonicandReweighting

public MeterWorkTargetHarmonicandReweighting(IntegratorBox integrator,
                                             MeterHarmonicEnergy meterHarmonicEnergy,
                                             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)

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

getDataHistogramBetaUBWf

public IData getDataHistogramBetaUBWf()

getDataInfoHistogramBetaUBWf

public IDataInfo getDataInfoHistogramBetaUBWf()

getDataHistogramBetaUBWr

public IData getDataHistogramBetaUBWr()

getDataInfoHistogramBetaUBWr

public IDataInfo getDataInfoHistogramBetaUBWr()

getBetaUBWf

public double getBetaUBWf()

getBetaUBWr

public double getBetaUBWr()