public class MCMoveInsertDelete extends MCMoveBox
Modifier and Type | Field and Description |
---|---|
protected AtomIteratorArrayListSimple |
affectedAtomIterator |
protected MoleculeActionTranslateTo |
atomTranslator |
protected MeterPotentialEnergy |
energyMeter |
protected boolean |
insert |
protected IMoleculeList |
moleculeList |
protected double |
mu |
protected RandomPositionSource |
positionSource |
protected IRandom |
random |
protected MoleculeArrayList |
reservoir |
protected ISpecies |
species |
protected IMolecule |
testMolecule |
protected double |
uNew |
protected double |
uOld |
box, perParticleFrequency
moveTracker, nominalFrequency, potential
Constructor and Description |
---|
MCMoveInsertDelete(IPotentialMaster potentialMaster,
IRandom random,
ISpace _space) |
Modifier and Type | Method and Description |
---|---|
void |
acceptNotify()
Method called by IntegratorMC in the event that the most recent trial is
accepted.
|
AtomIterator |
affectedAtoms()
Returns an iterator giving molecule that is being added or deleted
in the current or most recent trial.
|
boolean |
doTrial()
Chooses and performs with equal probability an elementary molecule insertion
or deletion.
|
double |
energyChange() |
double |
getA()
Returns the temperature-independent part of the acceptance probability.
|
double |
getB()
Returns the temperature-dependent part of the acceptance probability.
|
double |
getMu()
Accessor method for the chemical potential of th insertion/deletion species.
|
Dimension |
getMuDimension()
Indicates that chemical potential has dimensions of energy.
|
RandomPositionSource |
getPositionSource()
Returns the RandomPositionSource used by this move.
|
ISpecies |
getSpecies() |
boolean |
lastMoveInsert() |
void |
rejectNotify()
Method called by IntegratorMC in the event that the most recent trial
move is rejected.
|
void |
setBox(IBox p)
Sets the box on which this move acts.
|
void |
setMu(double mu)
Mutator method for the chemical potential of the insertion/deletion species.
|
void |
setPositionSource(RandomPositionSource newPositionSource)
Sets a new RandomPositionSource for this move to use.
|
void |
setSpecies(ISpecies s) |
affectedAtoms, energyChange, getBox, isNominallyPerParticleFrequency, toString
getNominalFrequency, getTracker, setTracker
protected double mu
protected final MeterPotentialEnergy energyMeter
protected ISpecies species
protected final AtomIteratorArrayListSimple affectedAtomIterator
protected IMolecule testMolecule
protected double uOld
protected double uNew
protected boolean insert
protected final MoleculeArrayList reservoir
protected final MoleculeActionTranslateTo atomTranslator
protected IMoleculeList moleculeList
protected IRandom random
protected RandomPositionSource positionSource
public MCMoveInsertDelete(IPotentialMaster potentialMaster, IRandom random, ISpace _space)
public void setSpecies(ISpecies s)
public ISpecies getSpecies()
public void setBox(IBox p)
MCMoveBox
public void setPositionSource(RandomPositionSource newPositionSource)
public RandomPositionSource getPositionSource()
public boolean doTrial()
public double getA()
MCMove
public double getB()
MCMove
public void acceptNotify()
MCMove
acceptNotify
in class MCMove
public void rejectNotify()
MCMove
rejectNotify
in class MCMove
public double energyChange()
energyChange
in class MCMoveBox
public AtomIterator affectedAtoms()
affectedAtoms
in class MCMoveBox
public boolean lastMoveInsert()
public void setMu(double mu)
public final double getMu()
public final Dimension getMuDimension()