Package etomica.virial.simulations

Class SimulationVirialUmbrella

java.lang.Object

etomica.simulation.Simulation

etomica.virial.simulations.SimulationVirial

etomica.virial.simulations.SimulationVirialUmbrella

public class SimulationVirialUmbrella
extends SimulationVirial

Simulation implementing the umbrella-sampling approach to evaluating a cluster diagram.

Field Summary

Fields inherited from class etomica.simulation.Simulation

eventManager, random, seeds, space

Fields inherited from class etomica.virial.simulations.SimulationVirial

accumulator, accumulatorPump, allValueClusters, box, boxLength, dataSink, doWiggle, integrator, mcMoveReptate, mcMoveRotate, mcMoveTranslate, mcMoveWiggle, meter, newSeeds, numMolecules, sampleCluster, species, temperature

Constructor Summary

Constructors

Constructor	Description
SimulationVirialUmbrella(Space aSpace, double temperature, ClusterAbstract refCluster, ClusterAbstract[] targetClusters)
SimulationVirialUmbrella(Space aSpace, SpeciesFactory speciesFactory, double temperature, ClusterAbstract refCluster, ClusterAbstract[] targetClusters)

Method Summary

Modifier and Type	Method	Description
static void	main(java.lang.String[] args)

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.simulation.Simulation

addBox, addSpecies, box, getBox, getBoxCount, getBoxes, getController, getEventManager, getRandom, getRandomSeeds, getSpace, getSpecies, getSpeciesCount, getSpeciesList, makeBox, makeBox, makeUniqueElementSymbol, removeBox, setRandom, species

Methods inherited from class etomica.virial.simulations.SimulationVirial

addEquilibration, equilibrate, getIntegrator, init, printResults, setAccumulator, setAccumulatorBlockSize, setBoxLength, setDoWiggle, setMeter, setSeeds

Constructor Detail

SimulationVirialUmbrella

public SimulationVirialUmbrella(Space aSpace,
                                double temperature,
                                ClusterAbstract refCluster,
                                ClusterAbstract[] targetClusters)

SimulationVirialUmbrella

public SimulationVirialUmbrella(Space aSpace,
                                SpeciesFactory speciesFactory,
                                double temperature,
                                ClusterAbstract refCluster,
                                ClusterAbstract[] targetClusters)

Method Detail

main

public static void main(java.lang.String[] args)