Fix SOC DOS parsing for latest pymatgen
#256
Merged
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
Since materialsproject/pymatgen#4239,
Spin.down
entries are no longer stored inpymatgen
DOS objects parsed from SOC calculations (as desired). There was a patch insumo
to delete this entry for SOC calculations if present, to make later downstream plotting easier, but this now causes aKeyError
when used with the latestpymatgen
due to this entry no longer being present:This small update fixes the issue.