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Docstring updates: Fix missing Outcar attributes and update elemental_dos_dos string #2293

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merged 2 commits into from
Nov 8, 2021
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Andrew-S-Rosen
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@Andrew-S-Rosen Andrew-S-Rosen commented Nov 7, 2021

Summary

  • The docs for pymatgen.io.vasp.outputs.Outcar are missing many of the attributes. For instance, it wasn't clear to me until I read the code that the Outcar() object has a total_mag keyword. I've update the docstring to include the missing attributes.

  • The docs for pymatgen.electronic_structure.dos.get_element_spd_dos have an incorrect description of the Returns dictionary. This has been updated. Note: There are still some aesthetic issues with the docs, as mentioned in Broken docstrings on the dos module #2292.

Many of the Outcar attributes were missing, making it difficult to know they exist in the first place. They have now been added.
Docstring originally was {Element: ...} but should be {orbital: ...}
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Coverage Status

Coverage decreased (-0.6%) to 83.103% when pulling 105253d on arosen93:rosen-docs into 50f5144 on materialsproject:master.

@shyuep shyuep merged commit 9e241ae into materialsproject:master Nov 8, 2021
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shyuep commented Nov 8, 2021

Thanks.

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3 participants