Package etomica.normalmode

Class DataSourceMuRoot1

java.lang.Object

etomica.data.DataSourceScalar

etomica.normalmode.DataSourceMuRoot1

All Implemented Interfaces:

IDataSource

public class DataSourceMuRoot1
extends DataSourceScalar

Datasource that returns an estimate of mu based on thermodynamic self-consistency of pressure measurements and defect free energies. This class only considers the free energy of the first defect (it assumes that all additional defects do not interact). The pressure is also only computed for the perfect and single-vacancy crystal and extrapolated from there.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
class	DataSourceMuRoot1.DataSourceMuRootPressure
class	DataSourceMuRoot1.DataSourceMuRootVacancyConcentration

Field Summary

Fields

Modifier and Type	Field	Description
protected double	bALattice
protected double	bmu
protected double	lastDP
protected double	lastLnTot
protected double	lastP
protected double	lastVacancyConcentration
protected double	latticeDensity
protected MCMoveOverlapListener	mcMoveOverlapMeter
protected DataDistributer	pSplitter
protected double	volume

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Constructor Summary

Constructors

Constructor	Description
DataSourceMuRoot1(MCMoveOverlapListener mcMoveOverlapMeter, double bmu, DataDistributer pSplitter, double bALattice, double latticeDensity, double volume)

Method Summary

Modifier and Type	Method	Description
double	getDataAsScalar()	Returns a single scalar value as the measurement for the given box.
double	getLastPressure()
double	getLastVacancyConcentration()

Methods inherited from class etomica.data.DataSourceScalar

getData, getDataDouble, getDataInfo, getTag

Methods inherited from class java.lang.Object

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

Field Detail

mcMoveOverlapMeter

protected final MCMoveOverlapListener mcMoveOverlapMeter

pSplitter

protected final DataDistributer pSplitter

bmu

protected double bmu

bALattice

protected double bALattice

volume

protected double volume

latticeDensity

protected double latticeDensity

lastP

protected double lastP

lastVacancyConcentration

protected double lastVacancyConcentration

lastDP

protected double lastDP

lastLnTot

protected double lastLnTot

Constructor Detail

DataSourceMuRoot1

public DataSourceMuRoot1(MCMoveOverlapListener mcMoveOverlapMeter,
                         double bmu,
                         DataDistributer pSplitter,
                         double bALattice,
                         double latticeDensity,
                         double volume)

Method Detail

getDataAsScalar

public double getDataAsScalar()

Description copied from class: DataSourceScalar

Returns a single scalar value as the measurement for the given box. Subclasses define this method to specify the measurement they make.

Specified by:

getDataAsScalar in class DataSourceScalar

getLastPressure

public double getLastPressure()

getLastVacancyConcentration

public double getLastVacancyConcentration()