Download**(9 march 2016) this project is continued on github : http://jaapkroe.github.io/polypy **
Python script to analyze (shortest-path) rings in structures read from xyz-files. It can be useful for example to identify defects in crystal structures or molecules.
Features
- Shortest-path ring search using Franzblau statistics [Phys. Rev. B 44, 4925]
- Output structures marked for visualization (see screenshots)
- detect subgraphs; defect clusters; atom chains; neighbor shells
- Progress bars!
Project Samples
License
GNU General Public License version 3.0 (GPLv3)Follow polypy
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