Package etomica.virial

Class MCMoveClusterAtomDiscrete

java.lang.Object

etomica.integrator.mcmove.MCMove

etomica.integrator.mcmove.MCMoveBox

etomica.integrator.mcmove.MCMoveBoxStep

etomica.integrator.mcmove.MCMoveAtom

etomica.virial.MCMoveClusterAtomDiscrete

All Implemented Interfaces:

MCMoveStepDependent

public class MCMoveClusterAtomDiscrete
extends MCMoveAtom

Extension of MCMoveClusterAtom that moves only the second atom and only along the x axis. The atom is moved in discrete steps such that its position is always an integer multiple of the discrete step size.

Field Summary

Fields

Modifier and Type	Field	Description
protected double	dr
protected double	newR
protected double	oldR
protected double	rPow
protected Vector[]	translationVectors

Fields inherited from class etomica.integrator.mcmove.MCMove

moveTracker, nominalFrequency, potential

Fields inherited from class etomica.integrator.mcmove.MCMoveAtom

affectedAtomIterator, atom, atomSource, energyMeter, fixOverlap, random, space, translationVector, uNew, uOld

Fields inherited from class etomica.integrator.mcmove.MCMoveBox

box, perParticleFrequency

Fields inherited from class etomica.integrator.mcmove.MCMoveBoxStep

stepSize, stepSizeMax, stepSizeMin

Constructor Summary

Constructors

Constructor	Description
MCMoveClusterAtomDiscrete(IRandom random, Space _space, double dr)

Method Summary

Modifier and Type	Method	Description
void	acceptNotify()	Method called by IntegratorMC in the event that the most recent trial is accepted.
boolean	doTrial()	Method to perform trial move.
double	getA()
double	getChi(double temperature)	Chi is the parameter within standard Metropolis Monte Carlo.
double	getRPow()
void	rejectNotify()	Method called by IntegratorMC in the event that the most recent trial move is rejected.
void	setBox(Box p)	Sets the box on which this move acts.
void	setRPow(double newRPow)

Methods inherited from class etomica.integrator.mcmove.MCMove

getNominalFrequency, getTracker, setTracker

Methods inherited from class etomica.integrator.mcmove.MCMoveAtom

affectedAtoms, energyChange, getAtomSource, setAtomSource

Methods inherited from class etomica.integrator.mcmove.MCMoveBox

affectedAtoms, energyChange, getBox, isNominallyPerParticleFrequency, toString

Methods inherited from class etomica.integrator.mcmove.MCMoveBoxStep

getStepSize, getStepSizeDimension, getStepSizeMax, getStepSizeMaxDimension, getStepSizeMin, getStepSizeMinDimension, setStepSize, setStepSizeMax, setStepSizeMin

Methods inherited from class java.lang.Object

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

Field Detail

translationVectors

protected Vector[] translationVectors

dr

protected double dr

oldR

protected double oldR

newR

protected double newR

rPow

protected double rPow

Constructor Detail

MCMoveClusterAtomDiscrete

public MCMoveClusterAtomDiscrete(IRandom random,
                                 Space _space,
                                 double dr)

Method Detail

setBox

public void setBox(Box p)

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 MCMoveAtom

setRPow

public void setRPow(double newRPow)

getRPow

public double getRPow()

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.

Overrides:

doTrial in class MCMoveAtom

getA

public double getA()

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).

Overrides:

getChi in class MCMoveAtom

Parameters:

temperature - used to compute chi

Returns:

chi

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.

Overrides:

rejectNotify in class MCMoveAtom

acceptNotify

public void acceptNotify()

Description copied from class: MCMove

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

Overrides:

acceptNotify in class MCMoveAtom