Pair Potentials

Detailed Description

Nonbonded pair potentials.

McPairPotential and MdPairPotential are abstract base classes that define slightly different interfaces use with MC and MD simulations, respectively.

In neutral systems (with no Coulomb interactions), these interfaces are implemented by corresponding class templates MdPairPotentialImpl and MdPairPotentialImpl, each of which takes an interaction class as a template argument. Thus, for example, the class MdPairPotentialImpl<LJPair> implements a Lennard-Jones pair potential for use in MD simulations.

Classes
class	McMd::McPairPotential
	A PairPotential for MC simulations (abstract). More...
class	McMd::McPairPotentialImpl< Interaction >
	Implementation template for an McPairPotential. More...
class	McMd::MdEwaldPairPotentialImpl< Interaction >
	Implementation of a pair potential for a charged system. More...
class	McMd::MdPairPotential
	An PairPotential for MD simulation. More...
class	McMd::MdPairPotentialImpl< Interaction >
	Implementation template for an MdPairPotential. More...
class	McMd::PairFactory
	Factory for subclasses MdPairPotential or McPairPotential. More...
class	McMd::PairPotential
	Interface for a Pair Potential. More...