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Orbital-resolved icohplist #2993

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Merged
merged 18 commits into from
May 17, 2023

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JaGeo
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@JaGeo JaGeo commented May 16, 2023

Summary

@janosh, I have added support for orbital-resolved icohplists and included tests.

(@naik-aakash , FYI. I think it should be very useful for some of our currenct projects)

@JaGeo JaGeo changed the title Orbital resolved icohplist Orbital-resolved icohplist May 16, 2023
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janosh commented May 16, 2023

@JaGeo We're trying to move away from type hint comments:

- list_orb_icohp = [] # type: List[dict]
+ list_orb_icohp: list[dict] = []

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JaGeo commented May 16, 2023

Thanks! Will change this!

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JaGeo commented May 16, 2023

Locally, mypy is finally passing...

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JaGeo commented May 16, 2023

Seems like most of the tests are passing now. macos tests haven't started yet.

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JaGeo commented May 16, 2023

MacOS tests are still queued. I will contiue on another day if something fails.

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JaGeo commented May 17, 2023

@janosh Finally, all tests are passing 😃

@janosh janosh merged commit 06f2206 into materialsproject:master May 17, 2023
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janosh commented May 17, 2023

Thanks @JaGeo! 👍

@janosh janosh added the enhancement A new feature or improvement to an existing one label May 17, 2023
@JaGeo JaGeo deleted the orbital_resolved_ICOHPLIST branch May 17, 2023 08:23
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2 participants