Package etomica.potential

Class PotentialMasterLrc

java.lang.Object

etomica.potential.PotentialMasterLrc

public class PotentialMasterLrc
extends java.lang.Object

Collects potentials used for long-range correction. One instance of this class is added to the PotentialMaster of a Simulation when the first Potential0Lrc class is instantiated. All subsequently created Potential0Lrc classes are added to this instance.

See Also:

Potential0Lrc

Field Summary

Fields

Modifier and Type	Field	Description
protected java.util.ArrayList<IPotentialAtomic>	atomicPotentials
protected boolean	enabled
protected MoleculeArrayList	list0
protected AtomArrayList	listLeaf0
protected java.util.ArrayList<IPotentialMolecular>	molecularPotentials

Constructor Summary

Constructors

Modifier	Constructor	Description
protected	PotentialMasterLrc()

Method Summary

Modifier and Type	Method	Description
void	addPotential(IPotentialAtomic potential)
void	addPotential(IPotentialMolecular potential)
void	calculate(Box box, IteratorDirective id, PotentialCalculation pc)	Performs given PotentialCalculation on all LRC potentials added to this group.
boolean	isEnabled()
void	setEnabled(boolean enabled)

Methods inherited from class java.lang.Object

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

Field Detail

molecularPotentials

protected final java.util.ArrayList<IPotentialMolecular> molecularPotentials

atomicPotentials

protected final java.util.ArrayList<IPotentialAtomic> atomicPotentials

enabled

protected boolean enabled

list0

protected final MoleculeArrayList list0

listLeaf0

protected final AtomArrayList listLeaf0

Constructor Detail

PotentialMasterLrc

protected PotentialMasterLrc()

Method Detail

calculate

public void calculate(Box box,
                      IteratorDirective id,
                      PotentialCalculation pc)

Performs given PotentialCalculation on all LRC potentials added to this group. Checks that group is enabled, box is not null, that it has lrcEnabled, and that the given IteratorDirective has includeLrc set to true; if all are so, calculation is performed.

isEnabled

public boolean isEnabled()

setEnabled

public void setEnabled(boolean enabled)

addPotential

public void addPotential(IPotentialMolecular potential)

addPotential

public void addPotential(IPotentialAtomic potential)