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Fix exchange symmetry operations #204

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merged 1 commit into from
Aug 15, 2024
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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.

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 merged commit 9ceeeae into master Aug 15, 2024
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