Package etomica.liquidLJ

Class MeterPUCut

java.lang.Object

etomica.liquidLJ.MeterPUCut

All Implemented Interfaces:

IDataSource

public class MeterPUCut
extends java.lang.Object
implements IDataSource

Meter for evaluation of the soft-potential pressure in a box. Requires that temperature be set in order to calculation ideal-gas contribution to pressure; default is to use zero temperature, which causes this contribution to be omitted.

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected DataDoubleArray	data
protected DataDoubleArray.DataInfoDoubleArray	dataInfo
protected IteratorDirective	iteratorDirective
protected PotentialCalculationSumCutoff	pc
protected PotentialCalculationSumCutoff	pcDADv2
protected PotentialMaster	potentialMaster
protected PotentialMaster	potentialMasterDADv2
protected DataTag	tag
protected double	temperature

Constructor Summary

Constructors

Constructor	Description
MeterPUCut(Space space, double[] cutoffs)

Method Summary

Modifier and Type	Method	Description
IData	getData()	Computes total pressure in box by summing virial over all pairs, and adding ideal-gas contribution.
IDataInfo	getDataInfo()
DataTag	getTag()
void	setBox(Box newBox)
void	setPotentialMaster(PotentialMaster newPotentialMaster)
void	setPotentialMasterDADv2(PotentialMaster newPotentialMasterDADv2)
void	setTemperature(double newTemperature)

Methods inherited from class java.lang.Object

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

Field Detail

data

protected final DataDoubleArray data

dataInfo

protected final DataDoubleArray.DataInfoDoubleArray dataInfo

tag

protected final DataTag tag

iteratorDirective

protected IteratorDirective iteratorDirective

pc

protected final PotentialCalculationSumCutoff pc

pcDADv2

protected final PotentialCalculationSumCutoff pcDADv2

potentialMaster

protected PotentialMaster potentialMaster

potentialMasterDADv2

protected PotentialMaster potentialMasterDADv2

temperature

protected double temperature

box

protected Box box

Constructor Detail

MeterPUCut

public MeterPUCut(Space space,
                  double[] cutoffs)

Method Detail

setPotentialMaster

public void setPotentialMaster(PotentialMaster newPotentialMaster)

setPotentialMasterDADv2

public void setPotentialMasterDADv2(PotentialMaster newPotentialMasterDADv2)

setTemperature

public void setTemperature(double newTemperature)

setBox

public void setBox(Box newBox)

getData

public IData getData()

Computes total pressure in box by summing virial over all pairs, and adding ideal-gas contribution.

Specified by:

getData in interface IDataSource

Returns:

the data given by this source

getTag

public DataTag getTag()

Specified by:

getTag in interface IDataSource

Returns:

a tag that uniquely identifies the IDataInfo

getDataInfo

public IDataInfo getDataInfo()

Specified by:

getDataInfo in interface IDataSource