Package etomica.liquidLJ

Class Potential2SoftSphericalLSMultiLatSlanty

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential2

etomica.liquidLJ.Potential2SoftSphericalLSMultiLat

etomica.liquidLJ.Potential2SoftSphericalLSMultiLatSlanty

All Implemented Interfaces:

IPotential, IPotentialAtomic, PotentialSoft

public class Potential2SoftSphericalLSMultiLatSlanty
extends Potential2SoftSphericalLSMultiLat

Methods for a soft (non-impulsive), spherically-symmetric pair potential. Subclasses must provide concrete definitions for the energy (method u(double)) and its derivatives.

Nested Class Summary

Nested classes/interfaces inherited from class etomica.liquidLJ.Potential2SoftSphericalLSMultiLat

Potential2SoftSphericalLSMultiLat.ReturnValue

Field Summary

Fields

Modifier and Type	Field	Description
protected Vector	xLat
protected Vector	xLxyz
protected Vector	yLat
protected Vector	yLxyz
protected Vector	zLat
protected Vector	zLxyz

Fields inherited from class etomica.potential.Potential

space

Fields inherited from class etomica.liquidLJ.Potential2SoftSphericalLSMultiLat

a0, boundary, coordinateDefinition, dr, dr0, drA, drLat, drLatTmp, drTmp, gradient, Lxyz, nShells, p2Soft, pTmp1, rCut2, rCutMax, rv

Constructor Summary

Constructors

Constructor	Description
Potential2SoftSphericalLSMultiLatSlanty(Space space, double[] rCut, Potential2Soft p2Soft, CoordinateDefinition coordinateDefinition, int[] nShells)

Method Summary

Modifier and Type	Method	Description
Potential2SoftSphericalLSMultiLat.ReturnValue	energyVirialCut(IAtomList atoms)
void	setBox(Box box)	Informs the potential of the box on which it acts.

Methods inherited from interface etomica.potential.IPotential

nBody

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

Methods inherited from class etomica.liquidLJ.Potential2SoftSphericalLSMultiLat

energy, getRange, gradient, gradient, virial

Field Detail

xLxyz

protected final Vector xLxyz

yLxyz

protected final Vector yLxyz

zLxyz

protected final Vector zLxyz

xLat

protected final Vector xLat

yLat

protected final Vector yLat

zLat

protected final Vector zLat

Constructor Detail

Potential2SoftSphericalLSMultiLatSlanty

public Potential2SoftSphericalLSMultiLatSlanty(Space space,
                                               double[] rCut,
                                               Potential2Soft p2Soft,
                                               CoordinateDefinition coordinateDefinition,
                                               int[] nShells)

Method Detail

energyVirialCut

public Potential2SoftSphericalLSMultiLat.ReturnValue energyVirialCut(IAtomList atoms)

Overrides:

energyVirialCut in class Potential2SoftSphericalLSMultiLat

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

Overrides:

setBox in class Potential2SoftSphericalLSMultiLat