Package etomica.polydisperseHS

Class P2HardSpherePoly

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential2

etomica.polydisperseHS.P2HardSpherePoly

All Implemented Interfaces:

IPotential, IPotentialAtomic, PotentialHard

public class P2HardSpherePoly
extends Potential2
implements PotentialHard

Basic hard-(rod/disk/sphere) potential. Energy is infinite if spheres overlap, and is zero otherwise. Collision diameter describes size of spheres. Suitable for use in space of any dimension.

Field Summary

Fields

Modifier and Type	Field	Description
protected Boundary	boundary
protected Vector	dr
protected Vector	dv
protected boolean	ignoreOverlap
protected double	lastCollisionVirial
protected double	lastCollisionVirialr2
protected Tensor	lastCollisionVirialTensor
protected double[]	sigmas

Fields inherited from class etomica.potential.Potential

space

Constructor Summary

Constructors

Constructor	Description
P2HardSpherePoly(Space space, double[] sigmas, boolean ignoreOverlap)

Method Summary

Modifier and Type	Method	Description
void	bump(IAtomList pair, double falseTime)	Implements collision dynamics and updates lastCollisionVirial
double	collisionTime(IAtomList pair, double falseTime)	Time to collision of pair, assuming free-flight kinematics
double	energy(IAtomList pair)	Interaction energy of the pair.
double	energyChange()	returns change in potential energy due to the last collision
double[]	getCollisionDiameter()	Accessor method for collision diameter
double	getRange()	Returns the range over which the potential applies.
double	lastCollisionVirial()	Value of the virial from the most recent collision.
Tensor	lastCollisionVirialTensor()	Value of the virial from the most recent collision, decomposed into it tensoral elements.
void	setBox(Box box)	Informs the potential of the box on which it acts.

Methods inherited from interface etomica.potential.IPotential

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

nBody

Field Detail

lastCollisionVirial

protected double lastCollisionVirial

lastCollisionVirialr2

protected double lastCollisionVirialr2

ignoreOverlap

protected final boolean ignoreOverlap

dr

protected final Vector dr

dv

protected final Vector dv

sigmas

protected final double[] sigmas

lastCollisionVirialTensor

protected final Tensor lastCollisionVirialTensor

boundary

protected Boundary boundary

Constructor Detail

P2HardSpherePoly

public P2HardSpherePoly(Space space,
                        double[] sigmas,
                        boolean ignoreOverlap)

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 Potential

collisionTime

public double collisionTime(IAtomList pair,
                            double falseTime)

Time to collision of pair, assuming free-flight kinematics

Specified by:

collisionTime in interface PotentialHard

bump

public void bump(IAtomList pair,
                 double falseTime)

Implements collision dynamics and updates lastCollisionVirial

Specified by:

bump in interface PotentialHard

lastCollisionVirial

public double lastCollisionVirial()

Description copied from interface: PotentialHard

Value of the virial from the most recent collision.

Specified by:

lastCollisionVirial in interface PotentialHard

Returns:

double virial value

lastCollisionVirialTensor

public Tensor lastCollisionVirialTensor()

Description copied from interface: PotentialHard

Value of the virial from the most recent collision, decomposed into it tensoral elements.

Specified by:

lastCollisionVirialTensor in interface PotentialHard

Returns:

Tensor

getCollisionDiameter

public double[] getCollisionDiameter()

Accessor method for collision diameter

energy

public double energy(IAtomList pair)

Interaction energy of the pair. Zero if separation is greater than collision diameter, infinity otherwise

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

energyChange

public double energyChange()

Description copied from interface: PotentialHard

returns change in potential energy due to the last collision

Specified by:

energyChange in interface PotentialHard