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Add mesh CLI option and fix thermal mesh #307

Merged
merged 5 commits into from
Oct 3, 2024
Merged

Add mesh CLI option and fix thermal mesh #307

merged 5 commits into from
Oct 3, 2024

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ElliottKasoar
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Starting point to resolves #305

oerc0122
oerc0122 reviewed Sep 13, 2024
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janus_core/cli/phonons.py Outdated Show resolved Hide resolved
oerc0122
oerc0122 previously requested changes Sep 13, 2024
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Once those floats are ints, I'm happy for this to go in.

@alinelena alinelena self-requested a review September 13, 2024 11:18
@alinelena alinelena self-assigned this Sep 13, 2024
@alinelena alinelena mentioned this pull request Sep 14, 2024
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@ElliottKasoar ElliottKasoar marked this pull request as ready for review October 2, 2024 11:41
@ElliottKasoar ElliottKasoar mentioned this pull request Oct 3, 2024
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@ElliottKasoar ElliottKasoar marked this pull request as draft October 3, 2024 10:56
@ElliottKasoar
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(Draft until decided on approach in sync with #320)

@alinelena
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I will not draft it.. but merge it and 320 rebased based on it.

@ElliottKasoar
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I agree 320 needs to be rebased, I mostly just want to be sure we want to change the type here.

Feels silly to change the type, then immediately change it again, but yeah I think a tuple either just for a diagonal supercell, or a custom Union of tuples, is looking like the way to go, so this should be a sensible starting point.

@ElliottKasoar ElliottKasoar marked this pull request as ready for review October 3, 2024 11:37
@ElliottKasoar ElliottKasoar dismissed oerc0122’s stale review October 3, 2024 11:38

Addressed with changes

@ElliottKasoar ElliottKasoar merged commit b6d8430 into stfc:main Oct 3, 2024
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@ElliottKasoar ElliottKasoar deleted the add-mesh branch October 3, 2024 11:39
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@alinelena alinelena alinelena approved these changes

@oerc0122 oerc0122 Awaiting requested review from oerc0122

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mesh is missing as an option for phonons
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@ElliottKasoar @alinelena @oerc0122