ExaMiniMD | proxy application and research vehicle

ExaMiniMD is a C++ library. ExaMiniMD has no bugs, it has no vulnerabilities and it has low support. However ExaMiniMD has a Non-SPDX License. You can download it from GitHub.

ExaMiniMD is a proxy application and research vehicle for particle codes, in particular Molecular Dynamics (MD). Compared to previous MD proxy apps (MiniMD, COMD), its design is significantly more modular in order to allow independent investigation of different aspects. To achieve that the main components such as force calculation, communication, neighbor list construction and binning are derived classes whose main functionality is accessed via virtual functions. This allows a developer to write a new derived class and drop it into the code without touching much of the rest of the application. These modules are included via a module header file. Those header files are also used to inject the input parameter logic and instantiation logic into the main code. As an example, look at modules_comm.h in conjunction with comm_serial.h and comm_mpi.h. In the future the plan is to provide focused miniApps with a subset of the available functionality for specific research purposes.