ObjectMD
The molecular dynamic class library, written in C++. All the entities are encapsulated in the object form. The class library contains 'plug-able' classes, the gadgets, which can be embedded to an application when needed. The design provides a simple programming interface to create an MD simulation, both in serial or parallel computing environment.
Base objects
- Atom keeper
- Atom container
- Unit converter
- Gadgets
Keeps the atom data structure: allocation, expansion, deletion....
Manages atom data: import, save, create crystallite structures....
Handles unit conversion in simulation
Integrator, Conditioner, Detector
