DigitalMaterial MD Class Diagram Molecular Dynamics Class Diagram Below is a sketch of our molecular dynamics classes and their associations. It does not address how the objects communicate. A class which refers to another points to it with an arrow.
Derived classes point to their bases with hollow arrows.
The numbers on either end of lines connecting classes indicate multiplicity. For instance, a ListOfAtoms has only one BoundaryCondition, but a BoundaryCondition can be associated with more than one list of atoms.