MD++ is a molecular dynamics simulation package written in C++. It features a flexible input language and an interactive 3D viewer. The code is designed mainly for studying the atomic behavior in solid crystal materials. It can also be extended to study other systems, such as fluids, polymers and bio-molecules.

The program includes an embedded Tcl interpreter which can read and execute scripts for automating simulations.

Image: Defects emitting from crack tips in BCC Fe loaded in tension.