Package etomica.tmmc

Class IntegratorTMMC

java.lang.Object

etomica.integrator.Integrator

etomica.integrator.IntegratorBox

etomica.integrator.IntegratorMC

etomica.tmmc.IntegratorTMMC

public class IntegratorTMMC
extends IntegratorMC

Integrator that implements Transition-Matrix Monte Carlo method.

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 int	nStates
protected double[]	weight

Fields inherited from class etomica.integrator.Integrator

eventManager, initialized, interval, stepCount

Fields inherited from class etomica.integrator.IntegratorBox

box, currentPotentialEnergy, isothermal, meterPE, potentialMaster, space, temperature

Fields inherited from class etomica.integrator.IntegratorMC

dodebug, moveEventManager, moveManager, random

Constructor Summary

Constructors

Constructor	Description
IntegratorTMMC(PotentialMaster potentialMaster, IRandom random, double temperature, Box box)
IntegratorTMMC(Simulation sim, PotentialMaster potentialMaster, Box box)

Method Summary

Modifier and Type	Method	Description
protected void	doStepInternal()	Method to select and perform an elementary Monte Carlo move.
int	getWeightUpdateInterval()	Accessor method for number of doStep calls between updating of weights.
void	setMacrostateManager(MacrostateManager m)
void	setWeightUpdateInterval(int i)	Sets the number of doStep calls between updating of weights.

Methods inherited from class etomica.integrator.Integrator

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

Methods inherited from class etomica.integrator.IntegratorBox

getBox, getMeterPotentialEnergy, getPotentialEnergy, getPotentialMaster, getTemperature, getTemperatureDimension, isIsothermal, setBox, setIsothermal, setMeterPotentialEnergy, setTemperature

Methods inherited from class etomica.integrator.IntegratorMC

getMoveEventManager, getMoveManager, notifyEnergyChange, reset, setMoveManager

Methods inherited from class java.lang.Object

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

Field Detail

weight

protected double[] weight

nStates

protected int nStates

Constructor Detail

IntegratorTMMC

public IntegratorTMMC(Simulation sim,
                      PotentialMaster potentialMaster,
                      Box box)

IntegratorTMMC

public IntegratorTMMC(PotentialMaster potentialMaster,
                      IRandom random,
                      double temperature,
                      Box box)

Method Detail

setMacrostateManager

public void setMacrostateManager(MacrostateManager m)

doStepInternal

protected void doStepInternal()

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.

Overrides:

doStepInternal in class IntegratorMC

setWeightUpdateInterval

public void setWeightUpdateInterval(int i)

Sets the number of doStep calls between updating of weights.

getWeightUpdateInterval

public int getWeightUpdateInterval()

Accessor method for number of doStep calls between updating of weights.