VoroTop: Voronoi Cell Topology Visualization and Analysis Toolkit
arXiv:1804.04221 · doi:10.1088/1361-651X/aa9a01
Abstract
This paper introduces a new open-source software program called VoroTop, which uses Voronoi topology to analyze local structure in atomic systems. Strengths of this approach include its abilities to analyze high-temperature systems and to characterize complex structure such as grain boundaries. This approach enables the automated analysis of systems and mechanisms previously not possible.
17 pages, 10 figures