Package etomica.modules.adsorption

Class IntegratorHybrid

java.lang.Object

etomica.integrator.Integrator

etomica.integrator.IntegratorBox

etomica.modules.adsorption.IntegratorHybrid

public class IntegratorHybrid
extends IntegratorBox

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 IntegratorMC	integratorMC
protected IntegratorMD	integratorMD

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

Constructor Summary

Constructors

Constructor	Description
IntegratorHybrid(PotentialMasterHybrid potentialMaster, IntegratorMD integratorMD, IntegratorMC integratorMC, double temperature)

Method Summary

Modifier and Type	Method	Description
protected void	doStepInternal()	Performs the elementary integration step, such as a molecular dynamics time step, or a Monte Carlo trial.
double	getCurrentTime()
void	reset()	Performs superclass reset actions and recalculated currentPotentialEnergy
void	resetStepCount()	This method resets the step counter.
void	setIsothermal(boolean b)
void	setMCMoveInsertDelete(MyMCMove mcMoveIDA, MyMCMove mcMoveIDB)
void	setMDStepRepetitions(int interval)
void	setTemperature(double t)
protected void	setup()	Perform initialization.

Methods inherited from class etomica.integrator.Integrator

doStep, getEventInterval, getEventManager, getStepCount, isInitialized, setEventInterval

Methods inherited from class etomica.integrator.IntegratorBox

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

Methods inherited from class java.lang.Object

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

Field Detail

integratorMC

protected final IntegratorMC integratorMC

integratorMD

protected final IntegratorMD integratorMD

Constructor Detail

IntegratorHybrid

public IntegratorHybrid(PotentialMasterHybrid potentialMaster,
                        IntegratorMD integratorMD,
                        IntegratorMC integratorMC,
                        double temperature)

Method Detail

setMCMoveInsertDelete

public void setMCMoveInsertDelete(MyMCMove mcMoveIDA,
                                  MyMCMove mcMoveIDB)

setMDStepRepetitions

public void setMDStepRepetitions(int interval)

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

setTemperature

public void setTemperature(double t)

Overrides:

setTemperature in class IntegratorBox

Parameters:

t - the new temperature

setIsothermal

public void setIsothermal(boolean b)

Overrides:

setIsothermal in class IntegratorBox

Parameters:

b - specifies whether the Integrator should (if true) sample according to a specified temperature

doStepInternal

protected void doStepInternal()

Description copied from class: Integrator

Performs the elementary integration step, such as a molecular dynamics time step, or a Monte Carlo trial.

Specified by:

doStepInternal in class Integrator

getCurrentTime

public double getCurrentTime()

reset

public void reset()

Description copied from class: IntegratorBox

Performs superclass reset actions and recalculated currentPotentialEnergy

Overrides:

reset in class IntegratorBox

resetStepCount

public void resetStepCount()

Description copied from class: Integrator

This method resets the step counter.

Overrides:

resetStepCount in class Integrator