Increased productivity with real time atomistic simulations using Atomify

The typical workflow when running atomistic simulations includes working with several programs. A text editor is needed to create and modify input 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 in the field. I have developed Atomify; a high performance real time visualizer for atomistic simulations. It can simulate and render more than one million atoms with excellent frame rate on modern hardware. Atomify supports OpenMP acceleration, GPU acceleration, real time plotting of physical quantities, and an easy-to-use code editor in one single application. The software currently uses LAMMPS as physics engine, but it can easily be extended to support other codes like Gromacs, NAMD or OpenMM. Atomify is open-source software (GPL) written in C++ using the Qt framework.