Package etomica.freeenergy.npath

Class MCMoveAtomSwap

java.lang.Object

etomica.integrator.mcmove.MCMove

etomica.integrator.mcmove.MCMoveBox

etomica.freeenergy.npath.MCMoveAtomSwap

public class MCMoveAtomSwap
extends MCMoveBox

Created by andrew on 4/11/17.

Field Summary

Fields

Modifier and Type	Field	Description
protected AtomIteratorArrayListSimple	affectedAtomIterator
protected IAtom	atom
protected IAtom	atom2
protected AtomIteratorAtomDependent	atomIterator
protected IAtomList	atoms
protected AtomSource	atomSource
protected Vector	dr
protected double	nbrDistance
protected AtomArrayList	nbrList
protected P1ImageHarmonic	p1
protected IRandom	random
protected AtomSetSinglet	singlet
protected Space	space
protected double	uNew
protected double	uOld

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
MCMoveAtomSwap(IRandom random, PotentialMaster potentialMaster, Space _space, P1ImageHarmonic p1)

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()
AtomSource	getAtomSource()
double	getChi(double temperature)	Chi is the parameter within standard Metropolis Monte Carlo.
double	getNbrDistance()
void	rejectNotify()	Method called by IntegratorMC in the event that the most recent trial move is rejected.
void	setAtomSource(AtomSource source)
void	setBox(Box p)	Sets the box on which this move acts.
void	setNbrDistance(double newNbrDistance)

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

affectedAtomIterator

protected final AtomIteratorArrayListSimple affectedAtomIterator

random

protected final IRandom random

nbrList

protected final AtomArrayList nbrList

dr

protected final Vector dr

p1

protected final P1ImageHarmonic p1

singlet

protected final AtomSetSinglet singlet

atom

protected IAtom atom

atom2

protected IAtom atom2

uOld

protected double uOld

uNew

protected double uNew

atomSource

protected AtomSource atomSource

space

protected Space space

atoms

protected IAtomList atoms

atomIterator

protected AtomIteratorAtomDependent atomIterator

nbrDistance

protected double nbrDistance

Constructor Detail

MCMoveAtomSwap

public MCMoveAtomSwap(IRandom random,
                      PotentialMaster potentialMaster,
                      Space _space,
                      P1ImageHarmonic p1)

Method Detail

getNbrDistance

public double getNbrDistance()

setNbrDistance

public void setNbrDistance(double newNbrDistance)

doTrial

public boolean doTrial()

Method to perform trial move.

Specified by:

doTrial in class MCMove

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

energyChange

public double energyChange()

Specified by:

energyChange in class MCMoveBox

acceptNotify

public void acceptNotify()

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

Specified by:

acceptNotify in class MCMove

rejectNotify

public void rejectNotify()

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

affectedAtoms

public AtomIterator affectedAtoms()

Specified by:

affectedAtoms in class MCMoveBox

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 MCMoveBox

getAtomSource

public AtomSource getAtomSource()

Returns:

Returns the atomSource.

setAtomSource

public void setAtomSource(AtomSource source)

Parameters:

source - The atomSource to set.