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This repository has been archived by the owner on Jan 12, 2024. It is now read-only.
It would be helpful to have a "orbital symmetry" item in problem_description in the BroomBridge v0.3. to reflect the irreducible representation of each orbital. Such feature could be useful in property analysis for molecules with symmetry.
The text was updated successfully, but these errors were encountered:
It would be helpful to have a "orbital symmetry" item in problem_description in the BroomBridge v0.3. to reflect the irreducible representation of each orbital. Such feature could be useful in property analysis for molecules with symmetry.
The text was updated successfully, but these errors were encountered: