Package etomica.potential

Class P2HardAssociationConeReferenceFourSites

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential2

etomica.potential.P2HardAssociationConeReferenceFourSites

All Implemented Interfaces:

IPotential, IPotentialAtomic

public class P2HardAssociationConeReferenceFourSites
extends Potential2

potential with a square-well cone of attraction for reference system. Four bonding sites

Field Summary

Fields

Modifier and Type	Field	Description
static boolean	FLAG

Fields inherited from class etomica.potential.Potential

space

Constructor Summary

Constructors

Constructor	Description
P2HardAssociationConeReferenceFourSites(Space space, double sigma)

Method Summary

Modifier and Type	Method	Description
double	energy(IAtomList atoms)	Returns the pair potential energy.
double	getRange()	Returns infinity.
double	getSigma()	Accessor method for Lennard-Jones size parameter
static Dimension	getSigmaDimension()
double	getTheta()	Accessor method for angle describing width of cone.
Dimension	getThetaDimension()
void	setBox(Box box)	Informs the potential of the box on which it acts.
void	setSigma(double s)	Accessor method for Lennard-Jones size parameter
void	setTheta(double t)	Accessor method for angle (in radians) describing width of cone.

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.potential.Potential

nBody

Field Detail

FLAG

public static boolean FLAG

Constructor Detail

P2HardAssociationConeReferenceFourSites

public P2HardAssociationConeReferenceFourSites(Space space,
                                               double sigma)

Method Detail

getRange

public double getRange()

Returns infinity.

Specified by:

getRange in interface IPotential

Specified by:

getRange in class Potential

energy

public double energy(IAtomList atoms)

Returns the pair potential energy.

Specified by:

energy in interface IPotentialAtomic

Specified by:

energy in class Potential

getSigma

public double getSigma()

Accessor method for Lennard-Jones size parameter

setSigma

public void setSigma(double s)

Accessor method for Lennard-Jones size parameter

getSigmaDimension

public static final Dimension getSigmaDimension()

getTheta

public double getTheta()

Accessor method for angle describing width of cone.

setTheta

public void setTheta(double t)

Accessor method for angle (in radians) describing width of cone.

getThetaDimension

public Dimension getThetaDimension()

setBox

public void setBox(Box box)

Description copied from class: Potential

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 Potential