VoroTop is a software package for analyzing the local structure of particle systems in two and three dimensions using the topology of their Voronoi cells. This approach is effective because it coarse-grains structural data directly in configuration space, avoiding the theoretical limitations inherent in continuous order parameters. More information about the method can be found on the Theory page.
Robust Structure Identification
Structure-independent tools that characterize and identify order in both ordered and disordered systems.
High-Temperature Defects
Visualize defects in crystals at up to 95% of melting temperature, where conventional methods often fail above 50%.
Multiple Input Formats
LAMMPS dump/data, Extended XYZ, VASP POSCAR/CONTCAR, CIF, and AtomEye extended CFG files.
Custom Filter Generation
Use VoroTypes to systematically enumerate all Voronoi cell topologies for any crystal structure and generate filter files for VoroTop.
Please be in touch with questions, suggestions, and ideas for collaborations.