Package etomica.freeenergy.npath

Class MCMoveAtomNPath

java.lang.Object

etomica.integrator.mcmove.MCMove

etomica.integrator.mcmove.MCMoveBox

etomica.integrator.mcmove.MCMoveBoxStep

etomica.integrator.mcmove.MCMoveAtom

etomica.freeenergy.npath.MCMoveAtomNPath

All Implemented Interfaces:

MCMoveStepDependent

public class MCMoveAtomNPath
extends MCMoveAtom

Created by andrew on 4/11/17.

Field Summary

Fields

Modifier and Type	Field	Description
protected AtomSetSinglet	atomSinglet
protected P1ImageHarmonic	p1

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
MCMoveAtomNPath(IRandom random, PotentialMaster potentialMaster, Space space, P1ImageHarmonic p1)

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.

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

p1

protected final P1ImageHarmonic p1

atomSinglet

protected final AtomSetSinglet atomSinglet

Constructor Detail

MCMoveAtomNPath

public MCMoveAtomNPath(IRandom random,
                       PotentialMaster potentialMaster,
                       Space space,
                       P1ImageHarmonic p1)

Method Detail

doTrial

public boolean doTrial()

Method to perform trial move.

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