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Bug in get_plotly method in the WulffShape #2816

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merged 2 commits into from Mar 16, 2023
Merged

Bug in get_plotly method in the WulffShape #2816

merged 2 commits into from Mar 16, 2023

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CifLord
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@CifLord CifLord commented Jan 24, 2023

Summary

Minor bug fix to the plotly interface for the WulffShape class.

  • Plotly WulffShape was trying to normalize the value of each surface energy by zero whenever only one facet existed on the Wulff Shape. The normalized surface energy of only one facet on the shape will be changed to 1 by default to avoid division by zero.

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Coverage Status

Coverage: 78.128% (-0.7%) from 78.846% when pulling 27b6a69 on CifLord:wulff_bug into dcbbe00 on materialsproject:master.

@janosh
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janosh commented Jan 26, 2023

@CifLord Thanks! Could you add or modify an existing test that would have triggered the error and now passes thanks to the if max(e_surf_on_wulff) == min(e_surf_on_wulff): case?

@janosh janosh merged commit de843f8 into materialsproject:master Mar 16, 2023
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3 participants