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Remove duplicate oxi state guess (merge issue) #107

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merged 1 commit into from
Mar 2, 2023

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kavanase
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Realised when testing that there was a merge issue with this that meant the full oxi-state guess function was run anyway, after doing the more efficient max_sites=-1 one 😅
Testing this all works as expected and much quicker initialisation when generating a range of defects at once!

@jmmshn jmmshn merged commit e57b764 into materialsproject:main Mar 2, 2023
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jmmshn commented Mar 2, 2023

thanks! @kavanase

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2 participants