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Axel Kohlmeyer authored
add readme file adapted from https://github.com/pmla/polyhedral-template-matching/blob/master/README.md to USER-PTM package
Axel Kohlmeyer authoredadd readme file adapted from https://github.com/pmla/polyhedral-template-matching/blob/master/README.md to USER-PTM package
README 875 B
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: http://lammps.sandia.gov/doc/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