Package etomica.normalmode

Class MeterBoltzmannTarget

java.lang.Object

etomica.normalmode.MeterBoltzmannTarget

All Implemented Interfaces:

IDataSource

public class MeterBoltzmannTarget
extends java.lang.Object
implements IDataSource

Meter used for overlap sampling in the target-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 DataSourceScalar	meterEnergy
protected DataSourceScalar	meterRefEnergy
protected DataTag	tag
protected double	temperature

Constructor Summary

Constructors

Constructor	Description
MeterBoltzmannTarget(DataSourceScalar meterTargetEnergy, DataSourceScalar meterRefEnergy)

Method Summary

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

meterEnergy

protected final DataSourceScalar meterEnergy

meterRefEnergy

protected final DataSourceScalar meterRefEnergy

temperature

protected double temperature

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

MeterBoltzmannTarget

public MeterBoltzmannTarget(DataSourceScalar meterTargetEnergy,
                            DataSourceScalar meterRefEnergy)

Method Detail

setFrac

public void setFrac(double newFrac)

getData

public IData getData()

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

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)

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