Package etomica.spin.heisenberg

Class MeterMappedAveragingFreeEnergy

java.lang.Object

etomica.spin.heisenberg.MeterMappedAveragingFreeEnergy

All Implemented Interfaces:

AtomLeafAgentManager.AgentSource<MoleculeAgent>, IDataSource

public class MeterMappedAveragingFreeEnergy
extends java.lang.Object
implements IDataSource, AtomLeafAgentManager.AgentSource<MoleculeAgent>

Field Summary

Fields

Modifier and Type	Field	Description
protected IteratorDirective	allAtoms
protected double	bt
protected DataDoubleArray	data
protected DataDoubleArray.DataInfoDoubleArray	dataInfo
protected Vector	dr
protected PotentialCalculationEnergySum	energySum
protected PotentialCalculationFreeEnergy	FE
protected double	J
protected AtomLeafAgentManager<MoleculeAgent>	leafAgentManager
protected double	mu
protected int	nMax
protected PotentialMaster	potentialMaster
protected PotentialCalculationPhiSum	secondDerivativeSum
protected PotentialCalculationPhiSumHeisenberg	secondDerivativeSumIdeal
protected Space	space
protected DataTag	tag
protected double	temperature
protected Vector	tmp
protected PotentialCalculationTorqueSum	torqueSum
protected Vector	work

Constructor Summary

Constructors

Constructor	Description
MeterMappedAveragingFreeEnergy(Space space, Box box, Simulation sim, double temperature, double interactionS, double dipoleMagnitude, PotentialMaster potentialMaster)

Method Summary

Modifier and Type	Method	Description
IData	getData()
IDataInfo	getDataInfo()
DataTag	getTag()
MoleculeAgent	makeAgent(IAtom a, Box box)	Returns an agent for the given Atom.
void	releaseAgent(MoleculeAgent agent, IAtom a, Box box)	This informs the agent source that the agent is going away and that the agent source should disconnect the agent from other elements.

Methods inherited from class java.lang.Object

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

Field Detail

data

protected final DataDoubleArray data

dataInfo

protected final DataDoubleArray.DataInfoDoubleArray dataInfo

tag

protected final DataTag tag

space

protected final Space space

potentialMaster

protected final PotentialMaster potentialMaster

allAtoms

protected final IteratorDirective allAtoms

energySum

protected PotentialCalculationEnergySum energySum

torqueSum

protected PotentialCalculationTorqueSum torqueSum

secondDerivativeSum

protected PotentialCalculationPhiSum secondDerivativeSum

secondDerivativeSumIdeal

protected PotentialCalculationPhiSumHeisenberg secondDerivativeSumIdeal

temperature

protected double temperature

J

protected double J

mu

protected double mu

bt

protected double bt

nMax

protected int nMax

dr

protected Vector dr

tmp

protected Vector tmp

work

protected Vector work

leafAgentManager

protected AtomLeafAgentManager<MoleculeAgent> leafAgentManager

FE

protected PotentialCalculationFreeEnergy FE

Constructor Detail

MeterMappedAveragingFreeEnergy

public MeterMappedAveragingFreeEnergy(Space space,
                                      Box box,
                                      Simulation sim,
                                      double temperature,
                                      double interactionS,
                                      double dipoleMagnitude,
                                      PotentialMaster potentialMaster)

Method Detail

getData

public IData getData()

Specified by:

getData in interface IDataSource

Returns:

the data given by this source

getTag

public DataTag getTag()

Specified by:

getTag in interface IDataSource

Returns:

a tag that uniquely identifies the IDataInfo

getDataInfo

public IDataInfo getDataInfo()

Specified by:

getDataInfo in interface IDataSource

makeAgent

public MoleculeAgent makeAgent(IAtom a,
                               Box box)

Description copied from interface: AtomLeafAgentManager.AgentSource

Returns an agent for the given Atom. The agentBox is provided for convenience for agent sources that handle multiple boxes.

Specified by:

makeAgent in interface AtomLeafAgentManager.AgentSource<MoleculeAgent>

box - TODO

releaseAgent

public void releaseAgent(MoleculeAgent agent,
                         IAtom a,
                         Box box)

Description copied from interface: AtomLeafAgentManager.AgentSource

This informs the agent source that the agent is going away and that the agent source should disconnect the agent from other elements. The agentBox is provided for convenience for agent sources that handle multiple boxes.

Specified by:

releaseAgent in interface AtomLeafAgentManager.AgentSource<MoleculeAgent>