Package etomica.potential

Class P2HardWrapper

java.lang.Object

etomica.potential.P2HardWrapper

All Implemented Interfaces:

IPotential, IPotentialAtomic, PotentialHard

public class P2HardWrapper
extends java.lang.Object
implements PotentialHard

Hard potential class that wraps another hard potential.

Field Summary

Fields

Modifier and Type	Field	Description
protected Space	space
protected PotentialHard	wrappedPotential

Constructor Summary

Constructors

Constructor	Description
P2HardWrapper(Space space, PotentialHard potential)

Method Summary

Modifier and Type	Method	Description
void	bump(IAtomList atoms, double falseTime)	Implements the collision dynamics.
double	collisionTime(IAtomList atoms, double falseTime)	Computes the time of collision of the given atom(s) with the hard potential, assuming no intervening collisions.
double	energy(IAtomList atoms)	Returns the interaction energy between the given atoms.
double	energyChange()	returns change in potential energy due to the last collision
double	getRange()	Returns the range over which the potential applies.
PotentialHard	getWrappedPotential()
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.
int	nBody()	The number of atoms on which the potential depends.
void	setBox(Box box)	Informs the potential of the box on which it acts so that it can properly consider the boundaries.
void	setWrappedPotential(PotentialHard newWrappedPotential)

Methods inherited from class java.lang.Object

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

Field Detail

space

protected final Space space

wrappedPotential

protected PotentialHard wrappedPotential

Constructor Detail

P2HardWrapper

public P2HardWrapper(Space space,
                     PotentialHard potential)

Method Detail

energy

public double energy(IAtomList atoms)

Description copied from interface: IPotentialAtomic

Returns the interaction energy between the given atoms. There might be 0, 1, 2 or more atoms in the AtomSet.

Specified by:

energy in interface IPotentialAtomic

nBody

public int nBody()

Description copied from interface: IPotential

The number of atoms on which the potential depends.

Specified by:

nBody in interface IPotential

setBox

public void setBox(Box box)

Description copied from interface: IPotential

Informs the potential of the box on which it acts so that it can properly consider the boundaries.

Specified by:

setBox in interface IPotential

getWrappedPotential

public PotentialHard getWrappedPotential()

setWrappedPotential

public void setWrappedPotential(PotentialHard newWrappedPotential)

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

bump

public void bump(IAtomList atoms,
                 double falseTime)

Description copied from interface: PotentialHard

Implements the collision dynamics. The given atom(s) is assumed to be at the point of collision. This method is called to change their momentum according to the action of the collision. Extensions can be defined to instead implement other, perhaps unphysical changes.

Specified by:

bump in interface PotentialHard

collisionTime

public double collisionTime(IAtomList atoms,
                            double falseTime)

Description copied from interface: PotentialHard

Computes the time of collision of the given atom(s) with the hard potential, assuming no intervening collisions. Usually assumes free-flight between collisions.

Specified by:

collisionTime in interface PotentialHard

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

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