Package etomica.potential

Class PotentialMolecularMonatomic

java.lang.Object

etomica.potential.PotentialMolecular

etomica.potential.PotentialMolecularMonatomic

All Implemented Interfaces:

IPotential, IPotentialMolecular

public class PotentialMolecularMonatomic
extends PotentialMolecular

Intermolecular potential that wraps an atomic potential. The potential is assumed to be monatomic.

Field Summary

Fields

Modifier and Type	Field	Description
protected AtomArrayList	atoms
protected IPotentialAtomic	potentialAtomic

Fields inherited from class etomica.potential.PotentialMolecular

nBody, space

Constructor Summary

Constructors

Constructor	Description
PotentialMolecularMonatomic(Space space, IPotentialAtomic potentialAtomic)

Method Summary

Modifier and Type	Method	Description
double	energy(IMoleculeList molecules)	Returns the interaction energy between the given molecules.
double	getRange()	Returns the range over which the potential applies.
void	setBox(Box box)	Informs the potential of the box on which it acts.

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.potential.PotentialMolecular

nBody

Field Detail

potentialAtomic

protected final IPotentialAtomic potentialAtomic

atoms

protected final AtomArrayList atoms

Constructor Detail

PotentialMolecularMonatomic

public PotentialMolecularMonatomic(Space space,
                                   IPotentialAtomic potentialAtomic)

Method Detail

getRange

public double getRange()

Description copied from interface: IPotential

Returns the range over which the potential applies. IAtoms with a greater separation do not interact.

Specified by:

getRange in interface IPotential

Specified by:

getRange in class PotentialMolecular

energy

public double energy(IMoleculeList molecules)

Description copied from class: PotentialMolecular

Returns the interaction energy between the given molecules. There might be 0, 1, 2 or more atoms in the IMoleculeList.

Specified by:

energy in interface IPotentialMolecular

Specified by:

energy in class PotentialMolecular

setBox

public void setBox(Box box)

Description copied from class: PotentialMolecular

Informs the potential of the box on which it acts. Typically this requires at least that it update the nearestImageTransformer of its coordinatePair (if it uses one), e.g.: cPair.setNearestImageTransformer(box.boundary());

Specified by:

setBox in interface IPotential

Specified by:

setBox in class PotentialMolecular