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pyiron / structuretoolkit Public

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Pull requests: pyiron/structuretoolkit

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Pull requests list

stepped-slab generation with bulk-to-slab atom mapping, fractional filtering, and robust supercell construction

#459 opened Mar 5, 2026 by ahmedabdelkawy Contributor • Draft

Create mesh visualization format_black

#184 opened May 17, 2024 by samwaseda Member • Draft

Implement Fitsnap interface for SNAP and ACE

#169 opened Apr 14, 2024 by jan-janssen Member • Draft

6

Add utilities to compute structure clusters format_black

#118 opened Nov 30, 2023 by ligerzero-ai Contributor • Draft

3

Add seekpath get_path() function

#90 opened Oct 5, 2023 by jan-janssen Member • Draft

Voronoi featuriser pymatgen format_black

#77 opened Sep 18, 2023 by ligerzero-ai Contributor • Draft

3

ProTip! What’s not been updated in a month: updated:<2026-06-10.

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