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Add auto oxidation state detection to MP2020 ; incremental update to correction values #2128

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merged 2 commits into from
May 3, 2021
Merged

Add auto oxidation state detection to MP2020 ; incremental update to correction values #2128

merged 2 commits into from
May 3, 2021

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rkingsbury
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@rkingsbury rkingsbury commented Apr 30, 2021 •
edited

  • Automatically try to guess the oxidation state of compounds in process_entries if it is not already provided
  • Small update to the MP2020 correction values as we finalize for the upcoming database release.

@rkingsbury rkingsbury changed the title Incremental bugfix update to MP2020 correction values Incremental update to MP2020 correction values Apr 30, 2021
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coveralls commented Apr 30, 2021 •
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Coverage Status

Coverage decreased (-0.6%) to 83.011% when pulling faed4ef on rkingsbury:default_mp2020 into af726e3 on materialsproject:master.

@rkingsbury rkingsbury changed the title Incremental update to MP2020 correction values Add auto oxidation state detection to MP2020 ; incremental update to correction values Apr 30, 2021
@mkhorton mkhorton merged commit 0ab0a8b into materialsproject:master May 3, 2021
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mkhorton commented May 3, 2021

Thanks @rkingsbury

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