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Small docstring fix for sumo-dosplot #241

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merged 7 commits into from
Aug 29, 2024
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kavanase
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Just noticed that the docstring for zero-energy in sumo-dosplot was incorrect (duplication of zero-line which has different behaviour), so just a small update

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Also added a docstring fix for optplot.py

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Looks good to me.

If there was any resource to work on Sumo, we could use Literal type annotations to make this kind of thing much clearer in the code. (And enforce them with Pydantic/Beartype so they don't need explicit checks.)

Looking back at this code with a few more years of experience, it would also probably be a good idea to refactor the Vasp/Questaal paths into an object interface and eliminate a lot of the logic. Ah, well.

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I know this is a small change but do feel free to mention these things in the CHANGELOG and claim your credit. We can always tidy them together into a "minor maintenance" item or something before release if they get unwieldy.

@ajjackson ajjackson merged commit 99f2a4d into SMTG-Bham:master Aug 29, 2024
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By the way, I see you did the work on master rather than create a feature branch; you might now have a bit of cleanup to do to get your local/forked master branch straight. Something like

git checkout master && git pull origin master  # Make sure local copy matches github fork
git remote add upstream [email protected]:smtg-bham/sumo.git  # Add main sumo repo as another remote
git fetch upstream master  # Get a copy of the master branch on this repo
git reset --hard upstream/master  # Move the "master" label on your local copy to be in sync with SMTG-Bham, and update local files to match. THIS WILL DELETE LOCAL CHANGES
git push --force-with-lease origin master  # Force "master" on your branch to match the same state. The "-with-lease" means this will error if your local copy of remote branch is out-of-date (i.e. somebody (i.e. me) pushed a commit you didn't pull yet).

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