Package etomica.dcvgcmd

Class IntegratorDCVGCMD

java.lang.Object

etomica.integrator.Integrator

etomica.integrator.IntegratorBox

etomica.dcvgcmd.IntegratorDCVGCMD

public class IntegratorDCVGCMD
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
double	zFraction

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
IntegratorDCVGCMD(PotentialMaster parent, double temperature, ISpecies species1, ISpecies species2, Box box)

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()
MyMCMove[]	mcMoves()
void	reset()	Performs superclass reset actions and recalculated currentPotentialEnergy
void	setDoThermalizeMembrane(boolean doThermalizeMembrane, ISpecies speciesMembrane, IRandom random)
void	setIntegrators(IntegratorMC intmc, IntegratorMD intmd, IRandom random)
void	setIsothermal(boolean b)
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, resetStepCount, 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

zFraction

public double zFraction

Constructor Detail

IntegratorDCVGCMD

public IntegratorDCVGCMD(PotentialMaster parent,
                         double temperature,
                         ISpecies species1,
                         ISpecies species2,
                         Box box)

Method Detail

setDoThermalizeMembrane

public void setDoThermalizeMembrane(boolean doThermalizeMembrane,
                                    ISpecies speciesMembrane,
                                    IRandom random)

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()

setIntegrators

public void setIntegrators(IntegratorMC intmc,
                           IntegratorMD intmd,
                           IRandom random)

reset

public void reset()

Description copied from class: IntegratorBox

Performs superclass reset actions and recalculated currentPotentialEnergy

Overrides:

reset in class IntegratorBox

mcMoves

public MyMCMove[] mcMoves()