Package etomica.integrator.mcmove

Class MCMoveInsertDeleteBiased

java.lang.Object

etomica.integrator.mcmove.MCMove

etomica.integrator.mcmove.MCMoveBox

etomica.integrator.mcmove.MCMoveInsertDelete

etomica.integrator.mcmove.MCMoveInsertDeleteBiased

Direct Known Subclasses:

MCMoveInsertDeleteLatticeVacancy, MCMoveInsertDeleteVacancy

public class MCMoveInsertDeleteBiased
extends MCMoveInsertDelete

Biased MCMove for insertion and deletion. The bias can be set by setting the natural log of the bias (lnBias) for every number of atoms. The range of atom numbers that will be sampled can also be set via fixedN and maxDN. The range goes from (fixedN-maxDN) to (fixedN+maxDN). Moves that would leave that range are still proposed, but when accepted, the move is rejected internally such that the system will remain in the range.

Field Summary

Fields

Modifier and Type	Field	Description
protected double[]	lnbias
protected int	maxN
protected int	minN

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.MCMoveInsertDelete

affectedAtomIterator, atomTranslator, energyMeter, insert, moleculeList, mu, positionSource, random, reservoir, species, testMolecule, uNew, uOld

Constructor Summary

Constructors

Constructor	Description
MCMoveInsertDeleteBiased(PotentialMaster potentialMaster, IRandom random, Space _space, int minN, int maxN)

Method Summary

Modifier and Type	Method	Description
void	acceptNotify()	Method called by IntegratorMC in the event that the most recent trial is accepted.
double	getChi(double temperature)	Chi is the parameter within standard Metropolis Monte Carlo.
double	getLnBias(int n)
double	getLnBiasDiff()
void	myAcceptNotify()
void	myRejectNotify()
void	rejectNotify()	Method called by IntegratorMC in the event that the most recent trial move is rejected.
void	setBox(Box box)	Sets the box on which this move acts.
void	setLnBias(int n, double nBias)
void	setMinMax(int newMinN, int newMaxN)
void	setMu(double newMu)	Mutator method for the chemical potential of the insertion/deletion species.

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.MCMoveInsertDelete

affectedAtoms, doTrial, energyChange, getMu, getMuDimension, getPositionSource, getSpecies, lastMoveInsert, setPositionSource, setSpecies

Methods inherited from class java.lang.Object

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

Field Detail

minN

protected int minN

maxN

protected int maxN

lnbias

protected double[] lnbias

Constructor Detail

MCMoveInsertDeleteBiased

public MCMoveInsertDeleteBiased(PotentialMaster potentialMaster,
                                IRandom random,
                                Space _space,
                                int minN,
                                int maxN)

Method Detail

setBox

public void setBox(Box box)

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 MCMoveInsertDelete

setMinMax

public void setMinMax(int newMinN,
                      int newMaxN)

getLnBias

public double getLnBias(int n)

setLnBias

public void setLnBias(int n,
                      double nBias)

setMu

public void setMu(double newMu)

Description copied from class: MCMoveInsertDelete

Mutator method for the chemical potential of the insertion/deletion species.

Overrides:

setMu in class MCMoveInsertDelete

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 MCMoveInsertDelete

Parameters:

temperature - used to compute chi

Returns:

chi

getLnBiasDiff

public double getLnBiasDiff()

myAcceptNotify

public void myAcceptNotify()

myRejectNotify

public void myRejectNotify()

rejectNotify

public final 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 MCMoveInsertDelete

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 MCMoveInsertDelete