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Fix exchange symmetry operations #204

Merged
merged 1 commit into from
Aug 15, 2024
Merged

Fix exchange symmetry operations #204

merged 1 commit into from
Aug 15, 2024

Commits on Aug 15, 2024

  1. Fix exchange symmetry operations 

    After moving to using local symmetry operations on each site some exchange interactions were broken. There were two issues:

1) No symmetry operations were generated when specifying with materials because the unit cell index was -1 (interaction data was completed after symops)

2) After applying the rotations I was no translating back into the unit cell to identify if it was the same atom.
    @drjbarker
    drjbarker committed Aug 15, 2024
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