Package etomica.integrator

Class IntegratorManagerMC

java.lang.Object

etomica.integrator.Integrator

etomica.integrator.IntegratorManagerMC

Direct Known Subclasses:

IntegratorGEMC, IntegratorOverlap, IntegratorOverlap, IntegratorPT, IntegratorRGEMC

public class IntegratorManagerMC
extends Integrator

Integrator manages other Integrators which either act on a Box, or manage still other Integrators. Each step, this class either performs global MC moves between the Integrators or runs the sub-integrators.

Nested Class Summary

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

Integrator.Forcible, Integrator.Torquable

Field Summary

Fields

Modifier and Type	Field	Description
protected EventManager<MCMoveEvent>	eventManager
protected double	globalMoveProbability
protected java.util.List<Integrator>	integrators
protected MCMoveManager	moveManager
protected IRandom	random
protected double	temperature

Fields inherited from class etomica.integrator.Integrator

initialized, interval, stepCount

Constructor Summary

Constructors

Constructor	Description
IntegratorManagerMC(IRandom random)

Method Summary

Modifier and Type	Method	Description
void	addIntegrator(Integrator integrator)
protected void	doGlobalMoves()	Method to select and perform an elementary Monte Carlo move.
protected void	doStepInternal()	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	getGlobalMoveInterval()	Accessor method for the average interval between box-swap trials.
Integrator[]	getIntegrators()
EventManager<MCMoveEvent>	getMoveEventManager()
MCMoveManager	getMoveManager()
double	getTemperature()
boolean	removeIntegrator(Integrator integrator)	Removes the given integrator from the list of integrators.
void	reset()	Causes recalculation of move frequencies and zero of selection counts for moves.
void	setGlobalMoveInterval(double newGlobalMoveInterval)	Sets the average interval between box-swap trials.
void	setMoveManager(MCMoveManager newMoveManager)
void	setTemperature(double temperature)	Sets the temperature for this integrator if that's relevant
protected void	setup()	Perform initialization.

Methods inherited from class etomica.integrator.Integrator

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

Methods inherited from class java.lang.Object

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

Field Detail

eventManager

protected final EventManager<MCMoveEvent> eventManager

random

protected final IRandom random

globalMoveProbability

protected double globalMoveProbability

moveManager

protected MCMoveManager moveManager

integrators

protected final java.util.List<Integrator> integrators

temperature

protected double temperature

Constructor Detail

IntegratorManagerMC

public IntegratorManagerMC(IRandom random)

Method Detail

setup

protected void setup()

Description copied from class: Integrator

Perform initialization. Subclasses can override this method to set up before integration begins.

Overrides:

setup in class Integrator

reset

public void reset()
           throws ConfigurationOverlapException

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 Integrator

Throws:

ConfigurationOverlapException

addIntegrator

public void addIntegrator(Integrator integrator)

removeIntegrator

public boolean removeIntegrator(Integrator integrator)

Removes the given integrator from the list of integrators. Returns false if the given integrator was not handled by this integrator.

getIntegrators

public Integrator[] getIntegrators()

getMoveManager

public MCMoveManager getMoveManager()

Returns:

Returns the moveManager.

setMoveManager

public void setMoveManager(MCMoveManager newMoveManager)

Parameters:

newMoveManager - The moveManager to set.

doStepInternal

protected void doStepInternal()

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

Specified by:

doStepInternal in class Integrator

doGlobalMoves

protected void doGlobalMoves()

Method to select and perform an elementary Monte Carlo move. The type of move performed is chosen from all MCMoves that have been added to the integrator. Each MCMove has associated with it a (unnormalized) frequency, which when weighed against the frequencies given the other MCMoves, determines the likelihood that the move is selected. After completing move, fires an MCMove event if there are any listeners.

getMoveEventManager

public EventManager<MCMoveEvent> getMoveEventManager()

getGlobalMoveInterval

public double getGlobalMoveInterval()

Accessor method for the average interval between box-swap trials.

setGlobalMoveInterval

public void setGlobalMoveInterval(double newGlobalMoveInterval)

Sets the average interval between box-swap trials. With each call to doStep of this integrator, there will be a probability of 1/globalMoveInterval that a swap trial will be attempted. A swap is attempted for only one pair of boxs. Default is 2.

getTemperature

public double getTemperature()

setTemperature

public void setTemperature(double temperature)

Sets the temperature for this integrator if that's relevant

Parameters:

temperature -