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Minor modification for symmetrically distinct Miller index generation#2949

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janosh merged 3 commits into
materialsproject:masterfrom
fyalcin:master
Apr 20, 2023
Merged

Minor modification for symmetrically distinct Miller index generation#2949
janosh merged 3 commits into
materialsproject:masterfrom
fyalcin:master

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@fyalcin

@fyalcin fyalcin commented Apr 20, 2023

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Closes: #2944

Fix: conv_hkl_list is now sorted with respect to the maximum of the absolute values of the individual Miller indices it contains, before it is iterated over, ensuring that the unique Miller indices returned contain the lowest indices possible.

fyalcin added 3 commits April 20, 2023 11:03
…n asdcending order by the maximum of the absolute values of individual indices. This ensures that low-index surfaces are encountered and added to the list of unique Miller indices first.
@janosh

janosh commented Apr 20, 2023

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Nicely done and great comments! 👍

@janosh janosh merged commit 516d337 into materialsproject:master Apr 20, 2023
@janosh janosh added the fix Bug fix PRs label Apr 20, 2023
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Minor modification to symmetrically distinct Miller index finder

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