https://github.com/voltlabs-research/structure-identification

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
https://github.com/voltlabs-research/structure-identification

common-neighbor-analysis lammps materials-science molecular-dynamics polyhedral-template-matching ptm simulation

Last synced: about 4 hours ago
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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

• Host: GitHub
• URL: https://github.com/voltlabs-research/structure-identification
• Owner: VoltLabs-Research
• License: mit
• Created: 2026-02-05T07:55:06.000Z (5 months ago)
• Default Branch: main
• Last Pushed: 2026-06-10T08:12:08.000Z (22 days ago)
• Last Synced: 2026-06-10T10:09:44.481Z (22 days ago)
• Topics: common-neighbor-analysis, lammps, materials-science, molecular-dynamics, polyhedral-template-matching, ptm, simulation
• Language: C++
• Homepage: https://docs.voltcloud.dev/docs/plugins/structure-identification
• Size: 163 KB
• Stars: 0
• Watchers: 0
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
# Structure Identification Library

Shared reconstructed-state and cluster-graph library used by CNA, PTM, PSM, Elastic Strain and OpenDXA.

## Install

This is an internal shared library, not a vpm-installable workflow plugin. It is consumed as a Conan dependency by the analysis plugins (CNA, PTM, PSM, Elastic Strain, OpenDXA) and is pulled in automatically when you install those.

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Full ecosystem docs: https://docs.voltcloud.dev/docs/plugins