Simp namespace

Detailed Description

Simp namespace.

The Simp namespace contains classes that are more specific to molecular simulation than those in the Util namespace but that (like those in Util) are avaialable for use in any simpatico program. Classes defined in this namespace are available for use in the:

• The McMd namespace for use in the single-processor mcSim and mdSim programs
• The DdMd for use in the ddSim * parallel Md program
• The Tools namespace for use in postprocessing analysis tools

Modules
	Boundary
	Unit cells for periodic boundary conditions.
	Statistical Ensembles
	Statistical mechanical ensembles for specific macro-variables.
	Interactions
	Potential energy functions.
	Species
	Classes that represent molecular species.