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Fixing modes animation in case of reducible supercell - #164

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mikibonacci wants to merge 3 commits into
aiidalab:mainfrom
mikibonacci:fix/modes
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Fixing modes animation in case of reducible supercell#164
mikibonacci wants to merge 3 commits into
aiidalab:mainfrom
mikibonacci:fix/modes

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@mikibonacci

@mikibonacci mikibonacci commented Nov 28, 2025

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This fixes #163

@mikibonacci mikibonacci changed the title This fixes https://github.com/aiidalab/aiidalab-qe-vibroscopy/issues/163 Fixing modes animation in case of reducible supercell Nov 28, 2025
@AndresOrtegaGuerrero

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How can I reproduce this issue ? Because the modes are displayed on the primitive used

@mikibonacci

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I will send you a node and a notebook to reproduce

if vibro is None:
return None

if "numerical_accuracy_4" in vibro.get("vibrational_data", {}):

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use the function get_vibrational_data, from the RamanModel instead

return None


def fix_eigenvectors_dimensions(model):

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Move this logic to the model , also in the Mode

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modes animation not working if phonopy can reduce to primitive cell

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