Simpatico  v1.10
Classes

Detailed Description

A System is a set of interacting Molecules enclosed by a Boundary.

The McSystem and MdSystem subclasses provide functions that complete the types of energy and force calculations required by MC and MD simulations, respectively.

Classes

class  McMd::McSystem
 A System for use in a Markov chain Monte Carlo simulation. More...
 
class  McMd::McSystemInterface
 An interface to an McSystem. More...
 
class  McMd::MdSystem
 A System for Molecular Dynamics simulation. More...
 
class  McMd::MdSystemInterface
 An interface to an MdSystem. More...
 
class  McMd::System
 A set of interacting Molecules enclosed by a Boundary. More...
 
class  McMd::SystemInterface
 An interface to a System. More...