Package etomica.association

Class MCMoveMoleculeMonomer

java.lang.Object

etomica.integrator.mcmove.MCMove

etomica.integrator.mcmove.MCMoveBox

etomica.integrator.mcmove.MCMoveBoxStep

etomica.integrator.mcmove.MCMoveMolecule

etomica.association.MCMoveMoleculeMonomer

All Implemented Interfaces:

MCMoveMolecular, MCMoveStepDependent

public class MCMoveMoleculeMonomer
extends MCMoveMolecule

Monte Carlo molecule-displacement trial move for monomer molecules

Field Summary

Fields

Modifier and Type	Field	Description
protected IAssociationHelperMolecule	associationHelper
protected AssociationManagerMolecule	associationManager
protected Vector	dr
protected int	maxLength
protected MoleculeArrayList	smerList

Fields inherited from class etomica.integrator.mcmove.MCMove

moveTracker, nominalFrequency, potential

Fields inherited from class etomica.integrator.mcmove.MCMoveBox

box, perParticleFrequency

Fields inherited from class etomica.integrator.mcmove.MCMoveBoxStep

stepSize, stepSizeMax, stepSizeMin

Fields inherited from class etomica.integrator.mcmove.MCMoveMolecule

affectedAtomIterator, affectedMoleculeIterator, energyMeter, groupTranslationVector, molecule, moleculeSource, moveMoleculeAction, random, space, uNew, uOld

Constructor Summary

Constructors

Constructor	Description
MCMoveMoleculeMonomer(PotentialMaster potentialMaster, IRandom random, Space _space, double stepSize, double stepSizeMax)
MCMoveMoleculeMonomer(Simulation sim, PotentialMaster potentialMaster, Space _space)

Method Summary

Modifier and Type	Method	Description
double	getChi(double temperature)	Chi is the parameter within standard Metropolis Monte Carlo.
void	setAssociationManager(AssociationManagerMolecule associationManager, IAssociationHelperMolecule associationHelper)

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 etomica.integrator.mcmove.MCMoveBoxStep

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

Methods inherited from class etomica.integrator.mcmove.MCMoveMolecule

acceptNotify, affectedAtoms, affectedMolecules, doTrial, energyChange, getAtomSource, rejectNotify, setBox, setMoleculeSource

Methods inherited from class java.lang.Object

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

Field Detail

associationManager

protected AssociationManagerMolecule associationManager

smerList

protected final MoleculeArrayList smerList

dr

protected final Vector dr

maxLength

protected int maxLength

associationHelper

protected IAssociationHelperMolecule associationHelper

Constructor Detail

MCMoveMoleculeMonomer

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

MCMoveMoleculeMonomer

public MCMoveMoleculeMonomer(PotentialMaster potentialMaster,
                             IRandom random,
                             Space _space,
                             double stepSize,
                             double stepSizeMax)

Method Detail

setAssociationManager

public void setAssociationManager(AssociationManagerMolecule associationManager,
                                  IAssociationHelperMolecule associationHelper)

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 MCMoveMolecule

Parameters:

temperature - used to compute chi

Returns:

chi