Polyhedral Template Matching algorithm for analysis of molecular dynamics simulation data
The method is now included in OVITO, LAMMPS, and ASAP.
OVITO PTM documentation: https://www.ovito.org/docs/current/particles.modifiers.polyhedral_template_matching.php
LAMMPS PTM documentation: https://lammps.sandia.gov/doc/compute_ptm_atom.html
ASAP PTM documentation: https://wiki.fysik.dtu.dk/asap/Local%20crystalline%20order
If you use PTM in a publication, please cite:
Peter Mahler Larsen and Søren Schmidt and Jakob Schiøtz; "Robust structural identification via polyhedral template matching"; Modelling Simul. Mater. Sci. Eng. 24 (2016) 055007
Article available at: https://doi.org/10.1088/0965-0393/24/5/055007
Preprint available at: http://arxiv.org/abs/1603.05143
Send me an email if you would like help integrating PTM into your framework. My email address is [firstname].[middlename].[lastname]@gmail.com