Package etomica.potential

Class Potential2HardSpherical

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential2

etomica.potential.Potential2HardSpherical

All Implemented Interfaces:

IPotential, IPotentialAtomic, Potential2Spherical, PotentialHard

Direct Known Subclasses:

P2DoubleWell, P2HardAssociation, P2HardBond, P2HardSphere, P2PenetrableBond, P2PenetrableSphere, P2PenetrableSquareWell, P2SquareWell, P2SquareWellBondingCO, P2SquareWellOneSide, P2SquareWellRobust, P2SquareWellSurface, P2Tether

public abstract class Potential2HardSpherical
extends Potential2
implements PotentialHard, Potential2Spherical

Methods for a hard (impulsive), spherically-symmetric pair potential. Subclasses must provide a concrete definition for the energy (method u(double)).

Field Summary

Fields

Modifier and Type	Field	Description
protected Boundary	boundary
protected Vector	dr

Fields inherited from class etomica.potential.Potential

space

Constructor Summary

Constructors

Constructor	Description
Potential2HardSpherical(Space space)

Method Summary

Modifier and Type	Method	Description
double	energy(IAtomList pair)	Energy of the pair as given by the u(double) method, with application of any PotentialTruncation that may be defined for the potential.
void	setBox(Box box)	Informs the potential of the box on which it acts.
abstract double	u(double r2)	The pair energy u(r^2) with no truncation applied.

Methods inherited from interface etomica.potential.IPotential

getRange, nBody

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

getRange, nBody

Methods inherited from interface etomica.potential.PotentialHard

bump, collisionTime, energyChange, lastCollisionVirial, lastCollisionVirialTensor

Field Detail

dr

protected final Vector dr

boundary

protected Boundary boundary

Constructor Detail

Potential2HardSpherical

public Potential2HardSpherical(Space space)

Method Detail

u

public abstract double u(double r2)

The pair energy u(r^2) with no truncation applied.

Specified by:

u in interface Potential2Spherical

Parameters:

r2 - the square of the distance between the particles.

energy

public double energy(IAtomList pair)

Energy of the pair as given by the u(double) method, with application of any PotentialTruncation that may be defined for the potential. This does not take into account any false positioning that the Integrator may be using.

Specified by:

energy in interface IPotentialAtomic

Specified by:

energy in class Potential

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