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Pull requests: pyiron/structuretoolkit

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Pull requests list

Bump plotly from 6.6.0 to 6.7.0 dependencies Pull requests that update a dependency file minor add functionality in a backward compatible manner python Pull requests that update python code
#484 opened Apr 10, 2026 by dependabot bot • Draft
Add merge function to replace two atoms by one
#481 opened Apr 7, 2026 by pmrv Contributor Loading…
3
Add repulse() to push close atoms apart
#480 opened Apr 7, 2026 by pmrv Contributor Loading…
24
sqs improve interface
#476 opened Apr 1, 2026 by dgehringer Loading…
13
Add development environment
#471 opened Mar 27, 2026 by jan-janssen Member • Draft
4
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
Recreate structure fresh during get_primitive_cell bug Something isn't working enhancement New feature or request format_black
#144 opened Feb 14, 2024 by pmrv Contributor Loading…
23
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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