Package etomica.potential

Interface PotentialHard

All Superinterfaces:

IPotential, IPotentialAtomic

All Known Implementing Classes:

P1HardBoundary, P1HardMovingBoundary, P1HardPeriodic, P1HardWall, P1MagicWall, P1Wall, P1Wall, P2DoubleWell, P2HardAssociation, P2HardBond, P2HardBondedList, P2HardSphere, P2HardSphereCavity, P2HardSphereMC, P2HardSpherePoly, P2HardWrapper, P2Ideal, P2PenetrableBond, P2PenetrableSphere, P2PenetrableSquareWell, P2RoughSphere, P2SquareWell, P2SquareWellBonded, P2SquareWellBonded, P2SquareWellBonding, P2SquareWellBondingCO, P2SquareWellMonomer, P2SquareWellOneSide, P2SquareWellRadical, P2SquareWellRobust, P2SquareWellSurface, P2Tether, P2XOrder, Potential2HardSpherical

public interface PotentialHard
extends IPotentialAtomic

Interface for hard potentials, having impulsive forces.

Method Summary

Modifier and Type	Method	Description
void	bump(IAtomList atom, double falseTime)	Implements the collision dynamics.
double	collisionTime(IAtomList atom, double falseTime)	Computes the time of collision of the given atom(s) with the hard potential, assuming no intervening collisions.
double	energyChange()	returns change in potential energy due to the last collision
double	lastCollisionVirial()	Value of the virial from the most recent collision.
Tensor	lastCollisionVirialTensor()	Value of the virial from the most recent collision, decomposed into it tensoral elements.

Methods inherited from interface etomica.potential.IPotential

getRange, nBody, setBox

Methods inherited from interface etomica.potential.IPotentialAtomic

energy

Method Detail

lastCollisionVirial

double lastCollisionVirial()

Value of the virial from the most recent collision.

Returns:

double virial value

lastCollisionVirialTensor

Tensor lastCollisionVirialTensor()

Value of the virial from the most recent collision, decomposed into it tensoral elements.

Returns:

Tensor

bump

void bump(IAtomList atom,
          double falseTime)

Implements the collision dynamics. The given atom(s) is assumed to be at the point of collision. This method is called to change their momentum according to the action of the collision. Extensions can be defined to instead implement other, perhaps unphysical changes.

collisionTime

double collisionTime(IAtomList atom,
                     double falseTime)

Computes the time of collision of the given atom(s) with the hard potential, assuming no intervening collisions. Usually assumes free-flight between collisions.

energyChange

double energyChange()

returns change in potential energy due to the last collision