Package etomica.potential

Interface IPotentialAtomicMultibody

All Superinterfaces:

IPotential, IPotentialAtomic

All Known Implementing Classes:

P3CPSNonAdditiveHe, P3CPSNonAdditiveHeLessSimplified, P3CPSNonAdditiveHeSimplified

public interface IPotentialAtomicMultibody
extends IPotentialAtomic

Interface for an atomic non-additive potential. Although the potential varies with the angles between the atoms, the potential is spherically symmetric in that the atoms do not have orientation and the potential can be computed from the iteratomic distances.

Method Summary

Modifier and Type	Method	Description
double	energy(double[] r2)	Returns the energy for a configuration of atoms having the given pair separations (squared distances).

Methods inherited from interface etomica.potential.IPotential

getRange, nBody, setBox

Methods inherited from interface etomica.potential.IPotentialAtomic

energy

Method Detail

energy

double energy(double[] r2)

Returns the energy for a configuration of atoms having the given pair separations (squared distances). The pairs are listed in the order 0-1, 0-2... 0-n, 1-2...1-n, 2-3...