Package etomica.models.nitrogen

Class P0LatticeEnergyCorrec

java.lang.Object

etomica.potential.PotentialMolecular

etomica.models.nitrogen.P0LatticeEnergyCorrec

All Implemented Interfaces:

IPotential, IPotentialMolecular

public class P0LatticeEnergyCorrec
extends PotentialMolecular

The lattice energy correction for Nitrogen model zero-body interaction All the parameters are determined from the fitted equation. (uLattice_infinite - uLattice) as function of rho

Field Summary

Fields

Modifier and Type	Field	Description
protected int	numMolec

Fields inherited from class etomica.potential.PotentialMolecular

nBody, space

Constructor Summary

Constructors

Constructor	Description
P0LatticeEnergyCorrec(Space space)

Method Summary

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

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

numMolec

protected int numMolec

Constructor Detail

P0LatticeEnergyCorrec

public P0LatticeEnergyCorrec(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

setBox

public void setBox(Box p)

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

getSpecies

public ISpecies getSpecies()

setSpecies

public void setSpecies(ISpecies species)

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