Package etomica.potential

Class P2SpheroPolyhedron

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential2

etomica.potential.P2SpheroPolyhedron

All Implemented Interfaces:

IPotential, IPotentialAtomic

public class P2SpheroPolyhedron
extends Potential2

Field Summary

Fields

Modifier and Type	Field	Description
protected Boundary	boundary
protected Vector	dir0
protected Vector	dir1
protected Vector	dir2
protected Vector	dr
protected Vector	norm0
protected Vector	norm1
protected Vector	norm2
protected Vector	qsqv
protected Vector	sqv
protected Vector	sv
protected Vector	v
protected Vector	w
protected Vector	W0
protected Vector	W1
protected Vector	W2

Fields inherited from class etomica.potential.Potential

space

Constructor Summary

Constructors

Constructor	Description
P2SpheroPolyhedron(Space space)

Method Summary

Modifier and Type	Method	Description
protected void	calcSupport(AtomTypeSpheroPolyhedron atomType, Vector direction)
double	energy(IAtomList atoms)	Returns the interaction energy between the given atoms.
double	getRange()	Returns the range over which the potential applies.
double	gjke(AtomOrientedQuaternion atom0, AtomOrientedQuaternion atom1)
protected void	inverseProduct3D(Vector v1, Vector q1, Vector vv)
protected void	inverseProduct4D(Vector q0, Vector q1, Vector q2)
protected void	product3D(Vector v1, Vector q1, Vector vv)
void	setBox(Box box)	Informs the potential of the box on which it acts.

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.potential.Potential

nBody

Field Detail

boundary

protected Boundary boundary

dr

protected final Vector dr

v

protected final Vector v

w

protected final Vector w

W0

protected final Vector W0

W1

protected final Vector W1

W2

protected final Vector W2

sv

protected final Vector sv

sqv

protected final Vector sqv

qsqv

protected final Vector qsqv

dir0

protected final Vector dir0

dir1

protected final Vector dir1

dir2

protected final Vector dir2

norm0

protected final Vector norm0

norm1

protected final Vector norm1

norm2

protected final Vector norm2

Constructor Detail

P2SpheroPolyhedron

public P2SpheroPolyhedron(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

Specified by:

getRange in class Potential

energy

public double energy(IAtomList atoms)

Description copied from class: Potential

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

Specified by:

energy in class Potential

inverseProduct4D

protected void inverseProduct4D(Vector q0,
                                Vector q1,
                                Vector q2)

product3D

protected void product3D(Vector v1,
                         Vector q1,
                         Vector vv)

inverseProduct3D

protected void inverseProduct3D(Vector v1,
                                Vector q1,
                                Vector vv)

calcSupport

protected void calcSupport(AtomTypeSpheroPolyhedron atomType,
                           Vector direction)

gjke

public double gjke(AtomOrientedQuaternion atom0,
                   AtomOrientedQuaternion atom1)

setBox

public void setBox(Box box)

Description copied from class: Potential

Informs the potential of the box on which it acts. Typically this requires at least that it update the nearestImageTransformer of its coordinatePair (if it uses one), e.g.: cPair.setNearestImageTransformer(box.boundary());

Specified by:

setBox in interface IPotential

Specified by:

setBox in class Potential