MCMoveStepDependentpublic class MCMoveRotate3Pair extends MCMoveRotate
| Modifier and Type | Field | Description |
|---|---|---|
protected IPotentialAtomic |
p2 |
moveTracker, nominalFrequency, potentialaffectedAtomIterator, atom, atomSource, energyMeter, fixOverlap, random, space, translationVector, uNew, uOldbox, perParticleFrequencystepSize, stepSizeMax, stepSizeMiniOrientation, oldOrientation| Constructor | Description |
|---|---|
MCMoveRotate3Pair(IPotentialAtomic p2,
IRandom random,
Space _space) |
| 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.
|
getNominalFrequency, getTracker, setTrackeracceptNotify, affectedAtoms, energyChange, getAtomSource, setAtomSourceaffectedAtoms, energyChange, getBox, isNominallyPerParticleFrequency, toStringgetStepSize, getStepSizeDimension, getStepSizeMax, getStepSizeMaxDimension, getStepSizeMin, getStepSizeMinDimension, setStepSize, setStepSizeMax, setStepSizeMinrejectNotify, setBoxprotected final IPotentialAtomic p2
public MCMoveRotate3Pair(IPotentialAtomic p2, IRandom random, Space _space)
public boolean doTrial()
MCMovedoTrial in class MCMoveRotatepublic double getChi(double temperature)
MCMovegetChi in class MCMoveAtomtemperature - used to compute chi