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Pull requests: pyiron/structuretoolkit

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Pull requests list

Bump phonopy from 4.3.1 to 4.4.0 dependencies Pull requests that update a dependency file minor add functionality in a backward compatible manner python Pull requests that update python code
#532 opened Jul 17, 2026 by dependabot Bot Loading…
Update pymatgen to 2026.7.16
#530 opened Jul 16, 2026 by jan-janssen Member • Draft
1
Update numpy to 2.5.1
#529 opened Jul 16, 2026 by jan-janssen Member • Draft
3
stepped-slab generation with bulk-to-slab atom mapping, fractional filtering, and robust supercell construction
#459 opened Mar 5, 2026 by ahmedabdelkawy Contributor • Draft
16
Create mesh visualization format_black
#184 opened May 17, 2024 by samwaseda Member • Draft
1
22
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
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