Package etomica.association

Class MCMoveBiasUB

java.lang.Object

etomica.integrator.mcmove.MCMove

etomica.integrator.mcmove.MCMoveBox

etomica.association.MCMoveBiasUB

public class MCMoveBiasUB
extends MCMoveBox

Field Summary

Fields

Modifier and Type	Field	Description
protected Vector	dr
protected AtomArrayList	smerList

Fields inherited from class etomica.integrator.mcmove.MCMove

moveTracker, nominalFrequency, potential

Fields inherited from class etomica.integrator.mcmove.MCMoveBox

box, perParticleFrequency

Constructor Summary

Constructors

Constructor	Description
MCMoveBiasUB(PotentialMasterCell potentialMaster, BiasVolume bv, IRandom random, Space space)

Method Summary

Modifier and Type	Method	Description
void	acceptNotify()	Method called by IntegratorMC in the event that the most recent trial is accepted.
AtomIterator	affectedAtoms()
boolean	doTrial()	Method to perform trial move.
double	energyChange()
double	getB()
double	getChi(double temperature)	Chi is the parameter within standard Metropolis Monte Carlo.
protected int	populateList(AtomArrayList mySmerList)
void	rejectNotify()	Method called by IntegratorMC in the event that the most recent trial move is rejected.
void	setAssociationManager(AssociationManager associationManager)
void	setBox(Box box)	Sets the box on which this move acts.
void	setMaxLength(int i)

Methods inherited from class etomica.integrator.mcmove.MCMove

getNominalFrequency, getTracker, setTracker

Methods inherited from class etomica.integrator.mcmove.MCMoveBox

affectedAtoms, energyChange, getBox, isNominallyPerParticleFrequency, toString

Methods inherited from class java.lang.Object

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

Field Detail

smerList

protected final AtomArrayList smerList

dr

protected final Vector dr

Constructor Detail

MCMoveBiasUB

public MCMoveBiasUB(PotentialMasterCell potentialMaster,
                    BiasVolume bv,
                    IRandom random,
                    Space space)

Method Detail

setBox

public void setBox(Box box)

Description copied from class: MCMoveBox

Sets the box on which this move acts. The box itself can be changed via this method, if desired.

Overrides:

setBox in class MCMoveBox

setAssociationManager

public void setAssociationManager(AssociationManager associationManager)

doTrial

public boolean doTrial()

Description copied from class: MCMove

Method to perform trial move. Returns false if the trial could not be attempted, for example if there were no molecules in the box and the trial is designed to displace an atom; returns true otherwise.

Specified by:

doTrial in class MCMove

getB

public double getB()

getChi

public double getChi(double temperature)

Description copied from class: MCMove

Chi is the parameter within standard Metropolis Monte Carlo. The probability of accepting the move is given by min(1,chi).

Specified by:

getChi in class MCMove

Parameters:

temperature - used to compute chi

Returns:

chi

setMaxLength

public void setMaxLength(int i)

populateList

protected int populateList(AtomArrayList mySmerList)

affectedAtoms

public AtomIterator affectedAtoms()

Specified by:

affectedAtoms in class MCMoveBox

energyChange

public double energyChange()

Specified by:

energyChange in class MCMoveBox

acceptNotify

public void acceptNotify()

Description copied from class: MCMove

Method called by IntegratorMC in the event that the most recent trial is accepted.

Specified by:

acceptNotify in class MCMove

rejectNotify

public void rejectNotify()

Description copied from class: MCMove

Method called by IntegratorMC in the event that the most recent trial move is rejected. This method should cause the system to be restored to the condition before the most recent call to doTrial.

Specified by:

rejectNotify in class MCMove