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pyiron / pyiron_atomistics

pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
https://pyiron-atomistics.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Phonopy and magmom #1392

Open Leimeroth opened 6 months ago

Leimeroth commented 6 months ago

I just tried to plot some phonon dispersions from old phonon calculations and got following error:

AttributeError: 'Primitive' object has no attribute '_magnetic_moments'.

Phonopy renamed magmoms to magnetic_moments with the change from version 2.22.0 to 2.22.1 (https://github.com/phonopy/phonopy/pull/345/files). Reverting back to version 2.22.0 fixed it for me, but I guess this requires some changes here or in structuretoolkit.

Leimeroth commented 4 months ago

Bump