Docstring updates: Fix missing Outcar attributes and update elemental_dos_dos string#2293
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shyuep merged 2 commits intomaterialsproject:masterfrom Nov 8, 2021
Andrew-S-Rosen:rosen-docs
Merged
Docstring updates: Fix missing Outcar attributes and update elemental_dos_dos string#2293shyuep merged 2 commits intomaterialsproject:masterfrom Andrew-S-Rosen:rosen-docs
shyuep merged 2 commits intomaterialsproject:masterfrom
Andrew-S-Rosen:rosen-docs
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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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Summary
The docs for
pymatgen.io.vasp.outputs.Outcarare missing many of the attributes. For instance, it wasn't clear to me until I read the code that theOutcar()object has atotal_magkeyword. I've update the docstring to include the missing attributes.The docs for
pymatgen.electronic_structure.dos.get_element_spd_doshave an incorrect description of theReturnsdictionary. This has been updated. Note: There are still some aesthetic issues with the docs, as mentioned in Broken docstrings on the dos module #2292.