Package etomica.modules.colloid

Class P2HardSphereMC

java.lang.Object

etomica.potential.Potential

etomica.potential.Potential2

etomica.potential.Potential2HardSpherical

etomica.potential.P2HardSphere

etomica.modules.colloid.P2HardSphereMC

All Implemented Interfaces:

IPotential, IPotentialAtomic, Potential2Spherical, PotentialHard

public class P2HardSphereMC
extends P2HardSphere

Field Summary

Fields

Modifier and Type	Field	Description
protected double	bondFac
protected AtomLeafAgentManager<? extends IAtomList>	bondManager
protected int	chainLength
protected ISpecies	speciesMonomer

Fields inherited from class etomica.potential.P2HardSphere

collisionDiameter, dv, ignoreOverlap, lastCollisionVirial, lastCollisionVirialr2, lastCollisionVirialTensor, sig2

Fields inherited from class etomica.potential.Potential

space

Fields inherited from class etomica.potential.Potential2HardSpherical

boundary, dr

Constructor Summary

Constructors

Constructor	Description
P2HardSphereMC(Space space, AtomLeafAgentManager<? extends IAtomList> bondManager, ISpecies speciesMonomer)

Method Summary

Modifier and Type	Method	Description
double	collisionTime(IAtomList pair, double falseTime)	Computes next time of collision of two square-well atoms, assuming free-flight kinematics.
double	energy(IAtomList pair)	Energy of the pair as given by the u(double) method, with application of any PotentialTruncation that may be defined for the potential.
double	getBondFac()
void	setBondFac(double newBondFac)
void	setChainLength(int newChainLength)

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.P2HardSphere

bump, energyChange, getCollisionDiameter, getCollisionDiameterDimension, getRange, lastCollisionVirial, lastCollisionVirialTensor, setCollisionDiameter, u

Methods inherited from class etomica.potential.Potential

nBody

Methods inherited from class etomica.potential.Potential2HardSpherical

setBox

Field Detail

chainLength

protected int chainLength

bondManager

protected final AtomLeafAgentManager<? extends IAtomList> bondManager

bondFac

protected double bondFac

speciesMonomer

protected final ISpecies speciesMonomer

Constructor Detail

P2HardSphereMC

public P2HardSphereMC(Space space,
                      AtomLeafAgentManager<? extends IAtomList> bondManager,
                      ISpecies speciesMonomer)

Method Detail

setChainLength

public void setChainLength(int newChainLength)

energy

public double energy(IAtomList pair)

Description copied from class: Potential2HardSpherical

Energy of the pair as given by the u(double) method, with application of any PotentialTruncation that may be defined for the potential. This does not take into account any false positioning that the Integrator may be using.

Specified by:

energy in interface IPotentialAtomic

Overrides:

energy in class Potential2HardSpherical

collisionTime

public double collisionTime(IAtomList pair,
                            double falseTime)

Computes next time of collision of two square-well atoms, assuming free-flight kinematics. Collision may occur when cores collides, or when wells first encounter each other on approach, or when they edge of the wells are reached as atoms diverge.

Specified by:

collisionTime in interface PotentialHard

Overrides:

collisionTime in class P2HardSphere

setBondFac

public void setBondFac(double newBondFac)

getBondFac

public double getBondFac()