Package etomica.modules.adsorption

Class P1Wall

java.lang.Object

etomica.modules.adsorption.P1Wall

All Implemented Interfaces:

IPotential, IPotentialAtomic, PotentialHard

public class P1Wall
extends java.lang.Object
implements PotentialHard

Field Summary

Fields

Modifier and Type	Field	Description
protected Boundary	boundary
protected double	epsilon
protected IntegratorBox	integrator
protected double	lastEnergyChange
protected double	lastVirial
protected Tensor	lastVirialTensor
protected double	pThermalize
protected IRandom	random
protected AtomActionRandomizeVelocity	randomizer
protected double	range
protected double	sigma
protected Vector	vOld

Constructor Summary

Constructors

Constructor	Description
P1Wall(Space space)

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 atoms)	Returns the interaction energy between the given atoms.
double	energyChange()	returns change in potential energy due to the last collision
double	getEpsilon()
double	getRange()	Returns the range over which the potential applies.
double	getSigma()
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.
double	lastWallVirial()
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	setEpsilon(double newEpsilon)
void	setRange(double newRange)
void	setSigma(double newSigma)
void	setThermalize(IntegratorBox integrator, double pThermalize, IRandom random)

Methods inherited from class java.lang.Object

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

Field Detail

boundary

protected Boundary boundary

range

protected double range

sigma

protected double sigma

epsilon

protected double epsilon

lastVirial

protected double lastVirial

lastEnergyChange

protected double lastEnergyChange

lastVirialTensor

protected final Tensor lastVirialTensor

pThermalize

protected double pThermalize

integrator

protected IntegratorBox integrator

random

protected IRandom random

randomizer

protected AtomActionRandomizeVelocity randomizer

vOld

protected final Vector vOld

Constructor Detail

P1Wall

public P1Wall(Space space)

Method Detail

setSigma

public void setSigma(double newSigma)

getSigma

public double getSigma()

setRange

public void setRange(double newRange)

setEpsilon

public void setEpsilon(double newEpsilon)

getEpsilon

public double getEpsilon()

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

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

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

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

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

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

lastWallVirial

public double lastWallVirial()

setThermalize

public void setThermalize(IntegratorBox integrator,
                          double pThermalize,
                          IRandom random)