Simpatico  v1.10
Classes
Chemical Structure

Detailed Description

Classes that model atoms, groups, molecules, and species.

Classes

struct  Tools::Atom
 A point particle in an MD simulation. More...
 
class  Tools::Group< N >
 A group of covalently interacting atoms. More...
 
class  Tools::Molecule
 An Molecule has a sequence of atoms, and belongs to an Species. More...
 
class  Tools::Species
 A set of identical molecules. More...