Package etomica.modules.mu

Class P1MagicWall

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential1

etomica.modules.mu.P1MagicWall

All Implemented Interfaces:

IPotential, IPotentialAtomic, PotentialHard

public class P1MagicWall
extends Potential1
implements PotentialHard

Nested Class Summary

Nested classes/interfaces inherited from class etomica.potential.Potential1

Potential1.Intramolecular

Field Summary

Fields

Modifier and Type	Field	Description
protected Vector	dr
protected Vector	dv
protected double	lastDeltaU
protected NeighborListManager	neighborManager
protected PotentialMasterList	potentialMaster

Fields inherited from class etomica.potential.Potential

space

Fields inherited from class etomica.potential.Potential1

boundary

Constructor Summary

Constructors

Constructor	Description
P1MagicWall(Space space, PotentialMasterList potentialMaster)

Method Summary

Modifier and Type	Method	Description
void	bump(IAtomList a, double falseTime)	Implements the collision dynamics.
double	collisionTime(IAtomList a, double falseTime)	Computes the time of collision of the given atom(s) with the hard potential, assuming no intervening collisions.
double	energy(IAtomList a)	Returns the interaction energy between the given atoms.
double	energyChange()	returns change in potential energy due to the last collision
protected double	getDeltaU(IAtomKinetic atom, double falseTime, boolean isIG2SQW, boolean countHigh)
double	lastCollisionVirial()	not yet implemented
Tensor	lastCollisionVirialTensor()	not yet implemented.
void	setBox(Box newBox)	Informs the potential of the box on which it acts.

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

nBody

Methods inherited from class etomica.potential.Potential1

getRange

Field Detail

potentialMaster

protected final PotentialMasterList potentialMaster

neighborManager

protected NeighborListManager neighborManager

dr

protected final Vector dr

dv

protected final Vector dv

lastDeltaU

protected double lastDeltaU

Constructor Detail

P1MagicWall

public P1MagicWall(Space space,
                   PotentialMasterList potentialMaster)

Method Detail

energy

public double energy(IAtomList a)

Description copied from class: Potential

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

Specified by:

energy in class Potential

setBox

public void setBox(Box newBox)

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

Overrides:

setBox in class Potential1

collisionTime

public double collisionTime(IAtomList a,
                            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

bump

public void bump(IAtomList a,
                 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

getDeltaU

protected double getDeltaU(IAtomKinetic atom,
                           double falseTime,
                           boolean isIG2SQW,
                           boolean countHigh)

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()

not yet implemented

Specified by:

lastCollisionVirial in interface PotentialHard

Returns:

double virial value

lastCollisionVirialTensor

public Tensor lastCollisionVirialTensor()

not yet implemented.

Specified by:

lastCollisionVirialTensor in interface PotentialHard

Returns:

Tensor