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Update pourbaix heatmap plots #398

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merged 7 commits into from
Sep 4, 2024
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JoshuaNgXY
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@JoshuaNgXY JoshuaNgXY commented Jul 25, 2024

Summary

  • Removed x, y, and z labels on hovertext as they are redundant.
  • Changed the color of the ions to be a little more off-white.
  • Updated the heatmap scale to display ΔGpbx beyond 1 ev/atom.
  • Updated the color scale to favor lower energies.
  • Updated the color of the lines on the heatmap so that they are visible when the heatmap is turned off.

Color change for the regular diagram:

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After

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Color change for the Heatmap

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After

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JoshuaNgXY and others added 6 commits July 25, 2024 14:20
Removing x, y, and z labels on hovertext of heatmaps
Small color update to ion/default color
Removed extra box from hovertext of heatmap off Pourbaix plots.
Updated some whites to be a bit further offwhite so that it contrasts with the white background. 

Updated the heatmap color scheme to include the full range but use an exponentially scaled color scheme based off magma.
@JoshuaNgXY JoshuaNgXY changed the title [WIP] Update pourbaix heatmap plots Update pourbaix heatmap plots Jul 30, 2024
@JoshuaNgXY JoshuaNgXY marked this pull request as ready for review July 30, 2024 18:57
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# decomposition_e = np.min(
# [decomposition_e, np.ones(decomposition_e.shape)], axis=0
# )
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This must be turned off so that the Gibbs Energy is not capped.

@JoshuaNgXY
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Failing in a part of code not edited in this PR. It seems that this failure is common to the repo as other PRs and commits have the same error messages.

@tschaume
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tschaume commented Sep 4, 2024

@JoshuaNgXY @yang-ruoxi I've fixed the issues with the tests. Feel free to merge and release when ready.

@yang-ruoxi yang-ruoxi merged commit 6de65da into materialsproject:main Sep 4, 2024
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3 participants