Package etomica.association

Class MCMoveAtomSmer

java.lang.Object

etomica.integrator.mcmove.MCMove

etomica.integrator.mcmove.MCMoveBox

etomica.integrator.mcmove.MCMoveBoxStep

etomica.integrator.mcmove.MCMoveAtom

etomica.association.MCMoveAtomSmer

All Implemented Interfaces:

MCMoveStepDependent

public class MCMoveAtomSmer
extends MCMoveAtom

Field Summary

Fields

Modifier and Type	Field	Description
protected AssociationManager	associationManager
protected AtomArrayList	bondList
static boolean	dodebug
protected Vector	dr
protected int	maxLength
protected AtomArrayList	smerList

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
MCMoveAtomSmer(PotentialMaster potentialMaster, IRandom random, Space _space, double stepSize, double stepSizeMax, boolean fixOverlap)
MCMoveAtomSmer(Simulation sim, PotentialMaster potentialMaster, Space _space)

Method Summary

Modifier and Type	Method	Description
boolean	doTrial()	Method to perform trial move.
double	getChi(double temperature)	Chi is the parameter within standard Metropolis Monte Carlo.
protected int	populateList(AtomArrayList mySmerList)
void	setAssociationManager(AssociationManager associationManager)
void	setMaxLength(int i)

Methods inherited from class etomica.integrator.mcmove.MCMove

getNominalFrequency, getTracker, setTracker

Methods inherited from class etomica.integrator.mcmove.MCMoveAtom

acceptNotify, affectedAtoms, energyChange, getAtomSource, rejectNotify, setAtomSource, setBox

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

associationManager

protected AssociationManager associationManager

bondList

protected final AtomArrayList bondList

smerList

protected final AtomArrayList smerList

dodebug

public static boolean dodebug

dr

protected final Vector dr

maxLength

protected int maxLength

Constructor Detail

MCMoveAtomSmer

public MCMoveAtomSmer(Simulation sim,
                      PotentialMaster potentialMaster,
                      Space _space)

MCMoveAtomSmer

public MCMoveAtomSmer(PotentialMaster potentialMaster,
                      IRandom random,
                      Space _space,
                      double stepSize,
                      double stepSizeMax,
                      boolean fixOverlap)

Method Detail

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.

Overrides:

doTrial in class MCMoveAtom

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

setMaxLength

public void setMaxLength(int i)

populateList

protected int populateList(AtomArrayList mySmerList)