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Pull requests: pyiron/structuretoolkit

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Pull requests list

[pre-commit.ci] pre-commit autoupdate
#298 opened Dec 23, 2024 by pre-commit-ci bot Loading…
1
Bump phonopy from 2.26.6 to 2.33.3 dependencies Pull requests that update a dependency file minor add functionality in a backward compatible manner
#297 opened Dec 18, 2024 by dependabot bot Loading…
1
Bump numpy from 1.26.4 to 2.0.1 dependencies Pull requests that update a dependency file major incompatible API changes
#226 opened Jul 22, 2024 by dependabot bot • Draft
6
Create mesh visualization format_black
#184 opened May 17, 2024 by samwaseda • Draft
1
22
Implement Fitsnap interface for SNAP and ACE
#169 opened Apr 14, 2024 by jan-janssen • Draft
2
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 • Draft
8
Add utilities to compute structure clusters format_black
#118 opened Nov 30, 2023 by ligerzero-ai • Draft
3
Add mp-api interface
#91 opened Oct 5, 2023 by jan-janssen • Draft
Add seekpath get_path() function
#90 opened Oct 5, 2023 by jan-janssen • Draft
Voronoi featuriser pymatgen format_black
#77 opened Sep 18, 2023 by ligerzero-ai • Draft
3
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