Package etomica.potential

Class PotentialDLPOLY

java.lang.Object

etomica.potential.PotentialMolecular

etomica.potential.PotentialDLPOLY

All Implemented Interfaces:

IPotential, IPotentialMolecular

public class PotentialDLPOLY
extends PotentialMolecular

Field Summary

Fields inherited from class etomica.potential.PotentialMolecular

nBody, space

Constructor Summary

Constructors

Constructor	Description
PotentialDLPOLY(Space space)

Method Summary

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

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

Constructor Detail

PotentialDLPOLY

public PotentialDLPOLY(Space space)

Method Detail

energy

public double energy(IMoleculeList atoms)

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

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

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

getConfigDLPOLY

public WriteConfigurationDLPOLY getConfigDLPOLY()

setConfigDLPOLY

public void setConfigDLPOLY(WriteConfigurationDLPOLY configDLPOLY)