Package etomica.models.co2

Class PNGCPM.P3GCPMAxilrodTeller

java.lang.Object

etomica.models.co2.PNGCPM.P3GCPMAxilrodTeller

All Implemented Interfaces:

IPotential, IPotentialMolecular

Enclosing class:

PNGCPM

public class PNGCPM.P3GCPMAxilrodTeller
extends java.lang.Object
implements IPotentialMolecular

Field Summary

Fields

Modifier and Type	Field	Description
protected Vector	bveci
protected Vector	bvecj
protected Vector	bveck
protected double[]	cosg
protected Vector	norm
protected Vector	rij
protected Vector	rik
protected Vector	rjk
protected Vector	xveci
protected Vector	xvecj
protected Vector	xveck
protected double[]	xx
protected Vector	yveci
protected Vector	yvecj
protected Vector	yveck
protected double[]	yy
protected double[]	zz

Constructor Summary

Constructors

Constructor	Description
P3GCPMAxilrodTeller(Space space)

Method Summary

Modifier and Type	Method	Description
double	energy(IMoleculeList molecules)	Returns the interaction energy between the given atoms.
double	getRange()	Returns the range over which the potential applies.
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.

Methods inherited from class java.lang.Object

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

Field Detail

rij

protected final Vector rij

rik

protected final Vector rik

rjk

protected final Vector rjk

bveci

protected final Vector bveci

bvecj

protected final Vector bvecj

bveck

protected final Vector bveck

cosg

protected final double[] cosg

norm

protected final Vector norm

xveci

protected final Vector xveci

xvecj

protected final Vector xvecj

xveck

protected final Vector xveck

yveci

protected final Vector yveci

yvecj

protected final Vector yvecj

yveck

protected final Vector yveck

xx

protected final double[] xx

yy

protected final double[] yy

zz

protected final double[] zz

Constructor Detail

P3GCPMAxilrodTeller

public P3GCPMAxilrodTeller(Space space)

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

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

nBody

public int nBody()

Description copied from interface: IPotential

The number of atoms on which the potential depends.

Specified by:

nBody in interface IPotential

energy

public double energy(IMoleculeList molecules)

Description copied from interface: IPotentialMolecular

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

Specified by:

energy in interface IPotentialMolecular