Package etomica.normalmode

Class MeterSolidDA

java.lang.Object

etomica.normalmode.MeterSolidDA

All Implemented Interfaces:

IDataSource

public class MeterSolidDA
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 double	bpHarm
protected CoordinateDefinition	coordinteDefinition
protected DataDoubleArray	data
protected DataDoubleArray.DataInfoDoubleArray	dataInfo
protected int	dim
protected boolean	doD2
protected Vector	dr
protected double	latticeEnergy
protected double	latticePressure
protected PotentialMaster	potentialMaster
protected double	pRes
protected DataTag	tag
protected double	temperature

Constructor Summary

Constructors

Constructor	Description
MeterSolidDA(Space space, PotentialMaster potentialMaster, CoordinateDefinition coordinateDefinition, boolean doD2)

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	setPRes(double pRes)
void	setTemperature(double temperature)

Methods inherited from class java.lang.Object

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

Field Detail

dim

protected final int dim

tag

protected final DataTag tag

dataInfo

protected DataDoubleArray.DataInfoDoubleArray dataInfo

data

protected DataDoubleArray data

potentialMaster

protected final PotentialMaster potentialMaster

temperature

protected double temperature

latticeEnergy

protected double latticeEnergy

latticePressure

protected double latticePressure

box

protected final Box box

pRes

protected double pRes

bpHarm

protected double bpHarm

doD2

protected final boolean doD2

coordinteDefinition

protected final CoordinateDefinition coordinteDefinition

dr

protected final Vector dr

Constructor Detail

MeterSolidDA

public MeterSolidDA(Space space,
                    PotentialMaster potentialMaster,
                    CoordinateDefinition coordinateDefinition,
                    boolean doD2)

Method Detail

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

setTemperature

public void setTemperature(double temperature)

setPRes

public void setPRes(double pRes)

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