VoroTop is a software package for analyzing the structure of spatial point sets in two and three dimensions through consideration of topological features of the Voronoi cells of the points. The efficacy of this approach results from its coarse-graining of structural data in a natural configuration space, instead of in the image of this space under a continuous mapping, which has notable theoretical restrictions. 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.
Guided Tutorials
Hands-on lessons from basic Voronoi topology calculations to advanced analysis techniques.
Please be in touch with questions, suggestions, and ideas for collaborations.