Package etomica.potential

Class P3AxilrodTeller

java.lang.Object

etomica.potential.P3AxilrodTeller

All Implemented Interfaces:

IPotential, IPotentialAtomic

public class P3AxilrodTeller
extends java.lang.Object
implements IPotentialAtomic

Axilrod-Teller potential. The potential is atomic. Ionization energy and polarizability are required as input for each atom type.

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
static class	P3AxilrodTeller.MyAgent

Field Summary

Fields

Modifier and Type	Field	Description
protected Boundary	boundary
protected Vector	dr1
protected Vector	dr2
protected java.util.Map<AtomType,P3AxilrodTeller.MyAgent>	paramsManager
protected Space	space

Constructor Summary

Constructors

Constructor	Description
P3AxilrodTeller(Space space, java.util.Map<AtomType,P3AxilrodTeller.MyAgent> paramsManager)

Method Summary

Modifier and Type	Method	Description
double	energy(IAtomList atoms)	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

paramsManager

protected final java.util.Map<AtomType,P3AxilrodTeller.MyAgent> paramsManager

space

protected final Space space

dr1

protected final Vector dr1

dr2

protected final Vector dr2

boundary

protected Boundary boundary

Constructor Detail

P3AxilrodTeller

public P3AxilrodTeller(Space space,
                       java.util.Map<AtomType,P3AxilrodTeller.MyAgent> paramsManager)

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

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