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ENH: the determine_magnetic_ordering function in the magnetism module sometimes assigns FiM to SF configurations #133

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nhew1994 opened this issue Nov 4, 2024 · 1 comment
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nhew1994 commented Nov 4, 2024

Based on some of my results for Fe3Pt.

@nhew1994 nhew1994 added the bug Something isn't working label Nov 4, 2024
@nhew1994 nhew1994 added enhancement New feature or request and removed bug Something isn't working labels Nov 6, 2024
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nhew1994 commented Nov 6, 2024

I checked it, and it does work. But we also want the option to determine the magnetic ordering based on only certain elements. For example, for Fe3Pt, we may want to determine the magnetic ordering based only on the Fe atoms.

@nhew1994 nhew1994 changed the title BUG: the determine_magnetic_ordering function in the magnetism module sometimes assigns FiM to SF configurations ENH: the determine_magnetic_ordering function in the magnetism module sometimes assigns FiM to SF configurations Nov 6, 2024
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