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Add Orbital Symmetry in BroomBridge v0.3

Open dgwvfxn opened this issue 5 years ago • 1 comments

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.

dgwvfxn avatar May 14 '20 22:05 dgwvfxn

@dgwvfxn Are there any other features that you think will be useful to add to BB v0.3?

guenp avatar Dec 21 '20 17:12 guenp