Package etomica.potential

Class P2HardSphere

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential2

etomica.potential.Potential2HardSpherical

etomica.potential.P2HardSphere

All Implemented Interfaces:

IPotential, IPotentialAtomic, Potential2Spherical, PotentialHard

Direct Known Subclasses:

P2HardSphereCavity, P2HardSphereMC, P2RoughSphere

public class P2HardSphere
extends Potential2HardSpherical

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 double	collisionDiameter	Separation at which spheres first overlap
protected Vector	dv
protected boolean	ignoreOverlap
protected double	lastCollisionVirial
protected double	lastCollisionVirialr2
protected Tensor	lastCollisionVirialTensor
protected double	sig2	Square of collisionDiameter

Fields inherited from class etomica.potential.Potential

space

Fields inherited from class etomica.potential.Potential2HardSpherical

boundary, dr

Constructor Summary

Constructors

Constructor	Description
P2HardSphere(Space space)
P2HardSphere(Space space, double d, 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	energyChange()	returns change in potential energy due to the last collision
double	getCollisionDiameter()	Accessor method for collision diameter
Dimension	getCollisionDiameterDimension()
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	setCollisionDiameter(double c)	Accessor method for collision diameter
double	u(double r2)	Interaction energy of the pair.

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

Methods inherited from class etomica.potential.Potential2HardSpherical

energy, setBox

Field Detail

collisionDiameter

protected double collisionDiameter

Separation at which spheres first overlap

sig2

protected double sig2

Square of collisionDiameter

lastCollisionVirial

protected double lastCollisionVirial

lastCollisionVirialr2

protected double lastCollisionVirialr2

ignoreOverlap

protected final boolean ignoreOverlap

dv

protected final Vector dv

lastCollisionVirialTensor

protected final Tensor lastCollisionVirialTensor

Constructor Detail

P2HardSphere

public P2HardSphere(Space space)

P2HardSphere

public P2HardSphere(Space space,
                    double d,
                    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

bump

public void bump(IAtomList pair,
                 double falseTime)

Implements collision dynamics and updates lastCollisionVirial

lastCollisionVirial

public double lastCollisionVirial()

Description copied from interface: PotentialHard

Value of the virial from the most recent collision.

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.

Returns:

Tensor

getCollisionDiameter

public double getCollisionDiameter()

Accessor method for collision diameter

setCollisionDiameter

public void setCollisionDiameter(double c)

Accessor method for collision diameter

getCollisionDiameterDimension

public Dimension getCollisionDiameterDimension()

u

public double u(double r2)

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

Specified by:

u in interface Potential2Spherical

Specified by:

u in class Potential2HardSpherical

Parameters:

r2 - the square of the distance between the particles.

energyChange

public double energyChange()

Description copied from interface: PotentialHard

returns change in potential energy due to the last collision