Package etomica.dimer

Class IntegratorEnergyMap

java.lang.Object

etomica.integrator.Integrator

etomica.integrator.IntegratorBox

etomica.dimer.IntegratorEnergyMap

public class IntegratorEnergyMap
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
MeterPotentialEnergy	energy

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
IntegratorEnergyMap(Simulation aSim, PotentialMaster potentialMaster, IAtom aAdatom, java.lang.String aFileTail, 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.
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, reset, setBox, setIsothermal, setMeterPotentialEnergy, setTemperature

Methods inherited from class java.lang.Object

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

Field Detail

energy

public MeterPotentialEnergy energy

Constructor Detail

IntegratorEnergyMap

public IntegratorEnergyMap(Simulation aSim,
                           PotentialMaster potentialMaster,
                           IAtom aAdatom,
                           java.lang.String aFileTail,
                           Box box)

Method Detail

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

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