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Possible improvements to expose internal functionality of BZ sublibrary #104

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giovannipizzi opened this issue Aug 27, 2024 · 0 comments · May be fixed by #106
Open
4 tasks

Possible improvements to expose internal functionality of BZ sublibrary #104

giovannipizzi opened this issue Aug 27, 2024 · 0 comments · May be fixed by #106

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@giovannipizzi
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giovannipizzi commented Aug 27, 2024 •
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  • Replace functions with a class to represent the BZ
  • Have a method to get the Hull and Delaunay
  • Have a method to know if a point is inside or outside the BZ
  • After all changes, if they are backward incompatible, update the seekpath tool on Materials Cloud
@t-reents t-reents linked a pull request Nov 11, 2024 that will close this issue
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@t-reents t-reents linked a pull request Nov 11, 2024 that will close this issue
Refactor get_BZ and implement BZ class #106
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Refactor get_BZ and implement BZ class t-reents/seekpath
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@giovannipizzi