Atomify - increased productivity with live visualization

Anders Hafreager

University of Oslo

The typical workflow when developing LAMMPS scripts includes working with several programs. A text editor is needed to modify the scripts, the terminal to run the simulation, and programs like VMD or Ovito to visualize the system over time. If physical quantities are computed, the data is often plotted with MATLAB or Python, where additional scripts must be used. This is a tedious process, especially for teaching purposes and for people who are new to LAMMPS. We here introduce Atomify; a high performance live visualizer for LAMMPS simulations, with stunning graphics able to simulate and render more than 250000 atoms with excellent frame rate on modern hardware. Atomify supports OpenMP acceleration, GPU acceleration, live plotting of LAMMPS variables and computes, and an easy-to-use code editor in one single program. Direct access to the powerful machinery already built into LAMMPS allows easy access to advanced physical quantities. Atomify is open-source software (GPL) written in C++ using the Qt framework.