Identification of local crystalline structures using Polyhedral Template Matching
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Updated
Apr 11, 2026 - C++
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polyhedral-template-matching
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Algorithms for crystal structure identification in atomistic simulations. Classifies atoms by local structural environment to detect BCC, FCC, HCP, diamond cubic, and other crystal structures. Distinguishes crystalline atoms from defects, surfaces, and disordered regions
simulation molecular-dynamics lammps materials-science ptm common-neighbor-analysis polyhedral-template-matching
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Updated
Apr 11, 2026 - C++
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