Package etomica.virial

Class MCMoveClusterAtomHSChainMix

java.lang.Object

etomica.integrator.mcmove.MCMove

etomica.integrator.mcmove.MCMoveBox

etomica.integrator.mcmove.MCMoveBoxStep

etomica.integrator.mcmove.MCMoveAtom

etomica.virial.MCMoveClusterAtomHSChain

etomica.virial.MCMoveClusterAtomHSChainMix

All Implemented Interfaces:

MCMoveStepDependent

public class MCMoveClusterAtomHSChainMix
extends MCMoveClusterAtomHSChain

Class that samples molecule positions based on a chain of hard spheres of various sizes. The interaction distance of each pair of spheres must be given, which allows the composition and mixing rules to be set. The sequence of spheres is chosen randomly.

Field Summary

Fields

Modifier and Type	Field	Description
protected double[][]	pairSigma

Fields inherited from class etomica.integrator.mcmove.MCMove

moveTracker, nominalFrequency, potential

Fields inherited from class etomica.integrator.mcmove.MCMoveAtom

affectedAtomIterator, atom, atomSource, energyMeter, fixOverlap, random, space, translationVector, uNew, uOld

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.virial.MCMoveClusterAtomHSChain

forceInBox, seq, sigma

Constructor Summary

Constructors

Constructor	Description
MCMoveClusterAtomHSChainMix(IRandom random, Space _space, double[][] pairSigma)

Method Summary

Modifier and Type	Method	Description
double	getSigma(int i, int j)

Methods inherited from class etomica.integrator.mcmove.MCMove

getNominalFrequency, getTracker, setTracker

Methods inherited from class etomica.integrator.mcmove.MCMoveAtom

affectedAtoms, energyChange, getAtomSource, setAtomSource, setBox

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.virial.MCMoveClusterAtomHSChain

acceptNotify, doTrial, getChi, rejectNotify, setForceInBox

Methods inherited from class java.lang.Object

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

Field Detail

pairSigma

protected double[][] pairSigma

Constructor Detail

MCMoveClusterAtomHSChainMix

public MCMoveClusterAtomHSChainMix(IRandom random,
                                   Space _space,
                                   double[][] pairSigma)

Method Detail

getSigma

public double getSigma(int i,
                       int j)

Overrides:

getSigma in class MCMoveClusterAtomHSChain