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pyiron /structuretoolkitPublic

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Pull requests: pyiron/structuretoolkit

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Pull requests list

Update numpy to 2.5.1

#529 opened Jul 16, 2026 by jan-janssenMember • Draft

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

#459 opened Mar 5, 2026 by ahmedabdelkawyContributor • Draft

Create mesh visualization format_black

#184 opened May 17, 2024 by samwasedaMember • Draft

Implement Fitsnap interface for SNAP and ACE

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

Add utilities to compute structure clusters format_black

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

Add seekpath get_path() function

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

Voronoi featuriser pymatgen format_black

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

ProTip! What’s not been updated in a month: updated:<2026-07-20.

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