Package etomica.modules.vle

Class MeterPressure2

java.lang.Object

etomica.data.DataSourceScalar

etomica.modules.vle.MeterPressure2

All Implemented Interfaces:

IDataSource

public class MeterPressure2
extends DataSourceScalar

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 PotentialMaster	potentialMaster

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Constructor Summary

Constructors

Constructor	Description
MeterPressure2(Space space)

Method Summary

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

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

potentialMaster

protected PotentialMaster potentialMaster

box

protected Box box

Constructor Detail

MeterPressure2

public MeterPressure2(Space space)

Method Detail

setPotentialMaster

public void setPotentialMaster(PotentialMaster newPotentialMaster)

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.

getPotentialMaster

public PotentialMaster getPotentialMaster()

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.

setBox

public void setBox(Box newBox)

getBox

public Box getBox()

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).

getDataAsScalar

public double getDataAsScalar()

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

Specified by:

getDataAsScalar in class DataSourceScalar