Ovito

OVITO (Open Visualization Tool) is a 3D desktop software and Python library used specifically for visualizing and analyzing particle-based and atomistic computer simulations. It is widely adopted across computational materials science, physics, and chemistry.

Ovito supports Data Pipeline Workflow: Uses a non-destructive data pipeline. You load raw data, and sequentially apply customizable "modifiers" to select, color, filter, or analyze the data in real-time.

Built-in Analysis Modifiers: Contains native algorithms designed for atomistic research, such as:Common Neighbor Analysis (CNA) and Polyhedral Template Matching (PTM) for identifying local crystal structures.Dislocation Analysis (DXA) for extracting and characterizing line defects (dislocations) in crystalline materials.Voronoi Analysis for assessing atomic volumes and coordination polyhedra.Cluster Analysis for identifying voids, pores, and particle agglomerations.

File Compatibility: Reads outputs from popular simulation codes like LAMMPS, VASP (POSCAR), and Gromacs, as well as universal formats like XYZ, VTK, and NetCDF.

Free version of Ovito is available as module on COOLMUC and can be used as described below.

1. Login to https://ood.hpc.lrz.de/pun/sys/dashboard
2. Start a remote desktop session
3. Open a terminal
4. module sw stack/24.5.0
5. module load ovito
6. ovito