28 lines
898 B
Plaintext
28 lines
898 B
Plaintext
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This package provides the compute ptm/atom command for LAMMPS which implements the
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Polyhedral Template Matching algorithm for analysis of molecular dynamics simulation data
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The method is currently (Fall 2018) included in OVITO, LAMMPS, and ASAP.
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OVITO PTM documentation: http://www.ovito.org/manual/particles.modifiers.polyhedral_template_matching.html
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LAMMPS PTM documentation: https://docs.lammps.org/compute_ptm_atom.html
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ASAP PTM documentation: http://wiki.fysik.dtu.dk/asap/Local%20crystalline%20order
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If you use PTM in a publication, please reference:
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Peter Mahler Larsen and Søren Schmidt and Jakob Schiøtz
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Robust structural identification via polyhedral template matching
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Modelling Simul. Mater. Sci. Eng. 24 (2016) 055007
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Article available at:
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http://stacks.iop.org/0965-0393/24/i=5/a=055007
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Preprint available at:
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http://arxiv.org/abs/1603.05143
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Contact email: pmla@mit.edu
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