Package etomica.modules.osmosis

Class MeterOsmoticPressure

java.lang.Object

etomica.data.DataSourceScalar

etomica.data.meter.MeterPressureHard

etomica.modules.osmosis.MeterOsmoticPressure

All Implemented Interfaces:

IDataSource, IntegratorHard.CollisionListener

public class MeterOsmoticPressure
extends MeterPressureHard

Osmotic pressure meter that calculates the difference in

Field Summary

Fields inherited from class etomica.data.DataSourceScalar

data, dataInfo, tag

Fields inherited from class etomica.data.meter.MeterPressureHard

dim, integratorHard, lastTime

Constructor Summary

Constructors

Constructor	Description
MeterOsmoticPressure(P1HardBoundary[] boundaryPotentials, IntegratorHard integrator)

Method Summary

Modifier and Type	Method	Description
void	collisionAction(IntegratorHard.Agent agent)	Implementation of CollisionListener interface Adds collision virial (from potential) to accumulator
double	getCollisionRadius()	Returns the collision radius used to calculate the accessible "area".
double	getDataAsScalar()	Returns P = (NT - (virial sum)/((elapsed time)*T*(space dimension)))/V Virial sum and elapsed time apply to period since last call to this method.
void	setCollisionRadius(double newRadius)	Sets the collision radius used to calculate accessible "area" assuming that the relevant hard "boundaries" form right-angles with other hard boundaries.

Methods inherited from class etomica.data.DataSourceScalar

getData, getDataDouble, getDataInfo, getTag

Methods inherited from class etomica.data.meter.MeterPressureHard

collisionValue, getIntegrator, reset

Methods inherited from class java.lang.Object

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

Constructor Detail

MeterOsmoticPressure

public MeterOsmoticPressure(P1HardBoundary[] boundaryPotentials,
                            IntegratorHard integrator)

Method Detail

setCollisionRadius

public void setCollisionRadius(double newRadius)

Sets the collision radius used to calculate accessible "area" assuming that the relevant hard "boundaries" form right-angles with other hard boundaries. The given collision radius should be the collsion radius of the molecules with the adjacent boundaries. If the adjacent boundaries are periodic, this should be 0.

getCollisionRadius

public double getCollisionRadius()

Returns the collision radius used to calculate the accessible "area".

collisionAction

public void collisionAction(IntegratorHard.Agent agent)

Description copied from class: MeterPressureHard

Implementation of CollisionListener interface Adds collision virial (from potential) to accumulator

Specified by:

collisionAction in interface IntegratorHard.CollisionListener

Overrides:

collisionAction in class MeterPressureHard

getDataAsScalar

public double getDataAsScalar()

Description copied from class: MeterPressureHard

Returns P = (NT - (virial sum)/((elapsed time)*T*(space dimension)))/V Virial sum and elapsed time apply to period since last call to this method.

Overrides:

getDataAsScalar in class MeterPressureHard