Open dgwvfxn opened 4 years ago
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 Are there any other features that you think will be useful to add to BB v0.3?
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.