Package etomica.potential

Class P3NitrogenHellmannNonAdditive

java.lang.Object

etomica.potential.P3NitrogenHellmannNonAdditive

All Implemented Interfaces:

IPotential, IPotentialAtomic

public class P3NitrogenHellmannNonAdditive
extends java.lang.Object
implements IPotentialAtomic

Field Summary

Fields

Modifier and Type	Field	Description
protected static double	alphaIso
protected static double	alphaIsoSim
static double	blN2
protected Boundary	boundary
protected static double	C9iso
protected static double	C9isoSim
boolean	parametersB
protected double[]	pos
protected double[]	q
protected static double[]	qA
protected static double[]	qB
protected static int[]	siteID
protected static double[]	sitePosA
protected static double[]	sitePosB
protected Space	space

Constructor Summary

Constructors

Constructor	Description
P3NitrogenHellmannNonAdditive(Space space)

Method Summary

Modifier and Type	Method	Description
double	energy(IAtomList atoms)	Returns the interaction energy between the given atoms.
protected void	fillData()
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

boundary

protected Boundary boundary

space

protected Space space

q

protected double[] q

pos

protected double[] pos

parametersB

public boolean parametersB

blN2

public static final double blN2

See Also:

Constant Field Values

C9iso

protected static final double C9iso

See Also:

Constant Field Values

C9isoSim

protected static final double C9isoSim

alphaIso

protected static final double alphaIso

See Also:

Constant Field Values

alphaIsoSim

protected static final double alphaIsoSim

siteID

protected static final int[] siteID

sitePosA

protected static final double[] sitePosA

qA

protected static final double[] qA

sitePosB

protected static final double[] sitePosB

qB

protected static final double[] qB

Constructor Detail

P3NitrogenHellmannNonAdditive

public P3NitrogenHellmannNonAdditive(Space space)

Method Detail

fillData

protected void fillData()

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(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