
This package provides the compute ptm/atom command for LAMMPS which implements the
Polyhedral Template Matching algorithm for analysis of molecular dynamics simulation data

The method is currently (Fall 2018) included in OVITO, LAMMPS, and ASAP.

OVITO PTM documentation: http://www.ovito.org/manual/particles.modifiers.polyhedral_template_matching.html

LAMMPS PTM documentation: https://docs.lammps.org/compute_ptm_atom.html

ASAP PTM documentation: http://wiki.fysik.dtu.dk/asap/Local%20crystalline%20order


If you use PTM in a publication, please reference:

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:
http://stacks.iop.org/0965-0393/24/i=5/a=055007

Preprint available at:
http://arxiv.org/abs/1603.05143


Contact email: pmla@mit.edu
