Package etomica.data.meter

Class MeterPressureTensor

java.lang.Object

etomica.data.meter.MeterPressureTensor

All Implemented Interfaces:

IDataSource

public class MeterPressureTensor
extends java.lang.Object
implements IDataSource

Meter for evaluation of the soft-potential pressure tensor in a box. This should only be used when using an MC Integrator. For MD, use a MeterPressureTensorFromIntegrator.

Field Summary

Fields

Modifier and Type	Field	Description
protected Box	box
protected DataTensor	data
protected DataInfo	dataInfo
protected IteratorDirective	iteratorDirective
protected PotentialCalculationPressureTensor	pc
protected PotentialMaster	potentialMaster
protected double	rD
protected DataTag	tag

Constructor Summary

Constructors

Constructor	Description
MeterPressureTensor(PotentialMaster potentialMaster, Space space)

Method Summary

Modifier and Type	Method	Description
Box	getBox()	Returns the integrator associated with this instance.
IData	getData()	Computes total pressure in box by summing virial over all pairs, and adding ideal-gas contribution.
IDataInfo	getDataInfo()
DataTag	getTag()
boolean	isIncludeLrc()	Indicates whether calculated energy should include long-range correction for potential truncation (true) or not (false).
void	setBox(Box newBox)	Sets the integrator associated with this instance.
void	setIncludeLrc(boolean b)	Sets flag indicating whether calculated energy should include long-range correction for potential truncation (true) or not (false).
void	setTemperature(double newT)

Methods inherited from class java.lang.Object

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

Field Detail

tag

protected final DataTag tag

data

protected final DataTensor data

dataInfo

protected final DataInfo dataInfo

potentialMaster

protected final PotentialMaster potentialMaster

box

protected Box box

iteratorDirective

protected IteratorDirective iteratorDirective

pc

protected final PotentialCalculationPressureTensor pc

rD

protected final double rD

Constructor Detail

MeterPressureTensor

public MeterPressureTensor(PotentialMaster potentialMaster,
                           Space space)

Method Detail

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

setBox

public void setBox(Box newBox)

Sets the integrator associated with this instance. The pressure is calculated for the box the integrator acts on and integrator's temperature is used for the ideal gas contribution.

getBox

public Box getBox()

Returns the integrator associated with this instance. The pressure is calculated for the box the integrator acts on and integrator's temperature is used for the ideal gas contribution.

setIncludeLrc

public void setIncludeLrc(boolean b)

Sets flag indicating whether calculated energy should include long-range correction for potential truncation (true) or not (false).

isIncludeLrc

public boolean isIncludeLrc()

Indicates whether calculated energy should include long-range correction for potential truncation (true) or not (false).

setTemperature

public void setTemperature(double newT)

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