microStamp mini application¶

A minimal version of exaStamp called microStamp is made available through the exaNBody platform. Only two interatomic potentials are available in microStamp namely the Lennard-Jones (LJ) potential and the Spectral Neighbor Analysis Potential (SNAP). microStamp allows for performing molecular dynamics simulation without the need to build and install the full exaStamp software. This has two advantages:

• A lightweight platform that allows to develop new tools and integrate them at the exaNBody level, thus enabling all applications built on exaNBody to benefit from it,
• Allow for a fast benchmark of two very different interatomic potentials where LJ is the fastest and simplest one while SNAP is quite computationally intensive and slower.

The microStamp mini application main purpose is to allow for developers to deep dive into the exaNBody code for integrating new features.