Package etomica.normalmode

Class P1ConstraintNbrHcp

java.lang.Object

etomica.normalmode.P1ConstraintNbrHcp

All Implemented Interfaces:

IPotential, IPotentialAtomic

public class P1ConstraintNbrHcp
extends java.lang.Object
implements IPotentialAtomic

Field Summary

Fields

Modifier and Type	Field	Description
protected Boundary	boundary
protected Vector	drj
protected Vector	drk
protected IAtomList	leafList
protected int[][]	neighborAtoms
protected double	neighborRadiusSq
protected int	p1Counter

Constructor Summary

Constructors

Constructor	Description
P1ConstraintNbrHcp(Space space, double neighborDistance, Box box)

Method Summary

Modifier and Type	Method	Description
double	energy(IAtomList atoms)	Returns sum of energy for all triplets containing the given atom
double	energyi(IAtom atom)	Returns the energy for atom i due to requirements for i and its neighbors (but not for i as a neighbor)
int	getp1Counter()
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

neighborAtoms

protected final int[][] neighborAtoms

drj

protected final Vector drj

drk

protected final Vector drk

neighborRadiusSq

protected double neighborRadiusSq

boundary

protected final Boundary boundary

leafList

protected IAtomList leafList

p1Counter

protected int p1Counter

Constructor Detail

P1ConstraintNbrHcp

public P1ConstraintNbrHcp(Space space,
                          double neighborDistance,
                          Box box)

Method Detail

nBody

public int nBody()

Description copied from interface: IPotential

The number of atoms on which the potential depends.

Specified by:

nBody in interface IPotential

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

energy

public double energy(IAtomList atoms)

Returns sum of energy for all triplets containing the given atom

Specified by:

energy in interface IPotentialAtomic

energyi

public double energyi(IAtom atom)

Returns the energy for atom i due to requirements for i and its neighbors (but not for i as a neighbor)

getp1Counter

public int getp1Counter()