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Cosmetic fixes to AseAtomsAdaptor dictionary key ordering #3076

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Merged
merged 2 commits into from
Jun 18, 2023
Merged

Cosmetic fixes to AseAtomsAdaptor dictionary key ordering #3076

merged 2 commits into from
Jun 18, 2023

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Andrew-S-Rosen
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When interconverting between Atoms and Structure/Molecule, the key ordering in the .todict() representation changes. This PR fixes this trivial non-issue.

@Andrew-S-Rosen Andrew-S-Rosen changed the title Cosmetic fixes to AseAtomsAdaptor Cosmetic fixes to AseAtomsAdaptor dictionary key ordering Jun 18, 2023
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Andrew-S-Rosen commented Jun 18, 2023

Ready to go, @janosh!

@janosh janosh added the housekeeping Moving around or cleaning up old code/files label Jun 18, 2023
@janosh janosh merged commit f5c1e70 into materialsproject:master Jun 18, 2023
@Andrew-S-Rosen Andrew-S-Rosen deleted the rosen-cleanup branch June 18, 2023 18:29
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