Package etomica.virial.overlap

Class IntegratorOverlap

java.lang.Object

etomica.integrator.Integrator

etomica.integrator.IntegratorManagerMC

etomica.virial.overlap.IntegratorOverlap

Deprecated.

@Deprecated
public class IntegratorOverlap
extends IntegratorManagerMC

This integrator class manages (2) sub-integrators for an overlap sampling simulation. Used for computing virial coefficients with overlap sampling.

See Also:

IntegratorOverlap

Nested Class Summary

Nested classes/interfaces inherited from class etomica.integrator.Integrator

Integrator.Forcible, Integrator.Torquable

Field Summary

Fields inherited from class etomica.integrator.Integrator

initialized, interval, stepCount

Fields inherited from class etomica.integrator.IntegratorManagerMC

eventManager, globalMoveProbability, integrators, moveManager, random, temperature

Constructor Summary

Constructors

Constructor	Description
IntegratorOverlap(Integrator[] aIntegrators)	Deprecated.

Method Summary

Modifier and Type	Method	Description
void	adjustStepFreq()	Deprecated. Adjusts the frequency with which steps for each sub-integrator are performed.
protected void	doStepInternal()	Deprecated. Performs a Monte Carlo trial that attempts to swap the configurations between two "adjacent" boxes, or instructs all integrators to perform a single doStep.
double	getActualStepFreq0()	Deprecated.
long	getNumSubSteps()	Deprecated. Retruns the number of total number of integrator steps the sub-integrators perform for every step of the overlap integrator.
double	getStepFreq0()	Deprecated.
boolean	isAdjustStepFreq()	Deprecated. Sets whether to adjust the number of relative number of steps for each sub-integrator.
void	reset()	Deprecated. Causes recalculation of move frequencies and zero of selection counts for moves.
void	setAdjustStepFreq(boolean b)	Deprecated. Sets whether to adjust the number of relative number of steps for each sub-integrator.
void	setDSVO(DataSourceVirialOverlap dataSource)	Deprecated. Sets the DataSource that retrieves data from both boxs and provides information to the integrator about their progress.
void	setNumSubSteps(int n)	Deprecated. Sets the number of total number of integrator steps the sub-integrators perform for every step of the overlap integrator.
void	setStepFreq0(double freq)	Deprecated.

Methods inherited from class etomica.integrator.Integrator

doStep, getEventInterval, getEventManager, getStepCount, isInitialized, resetStepCount, setEventInterval

Methods inherited from class etomica.integrator.IntegratorManagerMC

addIntegrator, doGlobalMoves, getGlobalMoveInterval, getIntegrators, getMoveEventManager, getMoveManager, getTemperature, removeIntegrator, setGlobalMoveInterval, setMoveManager, setTemperature, setup

Methods inherited from class java.lang.Object

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

Constructor Detail

IntegratorOverlap

public IntegratorOverlap(Integrator[] aIntegrators)

Deprecated.

Method Detail

setDSVO

public void setDSVO(DataSourceVirialOverlap dataSource)

Deprecated.

Sets the DataSource that retrieves data from both boxs and provides information to the integrator about their progress.

reset

public void reset()

Deprecated.

Description copied from class: IntegratorManagerMC

Causes recalculation of move frequencies and zero of selection counts for moves. Resets this integrator and passes on the reset to all managed integrators.

Overrides:

reset in class IntegratorManagerMC

setNumSubSteps

public void setNumSubSteps(int n)

Deprecated.

Sets the number of total number of integrator steps the sub-integrators perform for every step of the overlap integrator. Default value is 1000.

getNumSubSteps

public long getNumSubSteps()

Deprecated.

Retruns the number of total number of integrator steps the sub-integrators perform for every step of the overlap integrator. Default value is 1000.

setAdjustStepFreq

public void setAdjustStepFreq(boolean b)

Deprecated.

Sets whether to adjust the number of relative number of steps for each sub-integrator. Default is true.

isAdjustStepFreq

public boolean isAdjustStepFreq()

Deprecated.

Sets whether to adjust the number of relative number of steps for each sub-integrator. Default is true.

doStepInternal

protected void doStepInternal()

Deprecated.

Description copied from class: IntegratorManagerMC

Performs a Monte Carlo trial that attempts to swap the configurations between two "adjacent" boxes, or instructs all integrators to perform a single doStep.

Overrides:

doStepInternal in class IntegratorManagerMC

adjustStepFreq

public void adjustStepFreq()

Deprecated.

Adjusts the frequency with which steps for each sub-integrator are performed. Integrators handling clusters with high errors are favored over ones with low errors.

setStepFreq0

public void setStepFreq0(double freq)

Deprecated.

getStepFreq0

public double getStepFreq0()

Deprecated.

getActualStepFreq0

public double getActualStepFreq0()

Deprecated.