public class MCMoveClusterRotateMoleculeMulti extends MCMoveRotateMolecule3D
Modifier and Type | Field and Description |
---|---|
protected int[] |
constraintMap |
protected int[] |
rotationAxis |
protected double[] |
theta |
positionDefinition, r0, rotationTensor
affectedAtomIterator, affectedMoleculeIterator, energyMeter, groupTranslationVector, molecule, moleculeSource, moveMoleculeAction, random, space, uNew, uOld
stepSize, stepSizeMax, stepSizeMin
box, perParticleFrequency
moveTracker, nominalFrequency, potential
Constructor and Description |
---|
MCMoveClusterRotateMoleculeMulti(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.
|
boolean |
doTrial()
Method to perform trial move.
|
double |
getA()
Returns log of the ratio of the trial probabilities, ln(Tij/Tji) for the
states encountered before (i) and after (j) the most recent call to doTrial().
|
double |
getB()
Returns the log of the limiting-distribution probabilities of states, ln(Pj/Pi),
for the states encountered before (i) and after (j) the most recent call to
doTrial.
|
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 |
setConstraintMap(int[] newConstraintMap) |
void |
setRelaxAction(MoleculeAction action) |
doTransform, getPositionDefinition, setPositionDefinition
affectedAtoms, affectedMolecules, energyChange, getAtomSource, setMoleculeSource
getStepSize, getStepSizeDimension, getStepSizeMax, getStepSizeMaxDimension, getStepSizeMin, getStepSizeMinDimension, setStepSize, setStepSizeMax, setStepSizeMin
affectedAtoms, energyChange, getBox, isNominallyPerParticleFrequency, toString
getNominalFrequency, getTracker, setTracker
protected int[] constraintMap
protected int[] rotationAxis
protected double[] theta
public void setBox(IBox p)
etomica.integrator.mcmove.MCMoveBox
setBox
in class MCMoveMolecule
public void setConstraintMap(int[] newConstraintMap)
public boolean doTrial()
etomica.integrator.mcmove.MCMove
doTrial
in class MCMoveRotateMolecule3D
public double getB()
etomica.integrator.mcmove.MCMoveMolecule
getB
in class MCMoveMolecule
public double getA()
etomica.integrator.mcmove.MCMoveMolecule
getA
in class MCMoveMolecule
public void acceptNotify()
etomica.integrator.mcmove.MCMoveMolecule
acceptNotify
in class MCMoveMolecule
public void rejectNotify()
etomica.integrator.mcmove.MCMove
rejectNotify
in class MCMoveRotateMolecule3D
public void setRelaxAction(MoleculeAction action)