Package etomica.integrator

Class IntegratorGEMC

java.lang.Object

etomica.integrator.Integrator

etomica.integrator.IntegratorManagerMC

etomica.integrator.IntegratorGEMC

public class IntegratorGEMC
extends IntegratorManagerMC

Simple Gibbs-ensemble Monte Carlo integrator. Used to evaluate fluid-fluid box coexistence. Written to apply to only two boxs.

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
IntegratorGEMC(IRandom random, Space space)

Method Summary

Modifier and Type	Method	Description
void	addIntegrator(Integrator newIntegrator)
MCMoveMoleculeExchange	getMCMoveMoleculeExchange()	Returns the object that performs the molecule-exchange move in the GE simulation.
MCMoveVolumeExchange	getMCMoveVolumeExchange()	Returns the object that performs the volume-exchange move in the GE simulation.

Methods inherited from class etomica.integrator.Integrator

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

Methods inherited from class etomica.integrator.IntegratorManagerMC

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

Methods inherited from class java.lang.Object

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

Constructor Detail

IntegratorGEMC

public IntegratorGEMC(IRandom random,
                      Space space)

Method Detail

addIntegrator

public void addIntegrator(Integrator newIntegrator)

Overrides:

addIntegrator in class IntegratorManagerMC

getMCMoveVolumeExchange

public MCMoveVolumeExchange getMCMoveVolumeExchange()

Returns the object that performs the volume-exchange move in the GE simulation. Having handle to this object is needed to adjust trial frequency and view acceptance rate.

getMCMoveMoleculeExchange

public MCMoveMoleculeExchange getMCMoveMoleculeExchange()

Returns the object that performs the molecule-exchange move in the GE simulation. Having handle to this object is needed to adjust trial frequency and view acceptance rate.