Charles Weiss
Charles Weiss
Yes, it would take the point group Shoenflies notation along with the reducible representation and return the number of each reducible representation (example shown below). solve_reducible('C2v', [9, -1, 3, 1])...
@bsipocz You are welcome to use this PR for whatever you need to including updates to the contribution guide.
Sounds good. I should have an update to this PR probably before next week once I finish adding the ability to return dictionaries and more tests for the SALCs functionality....
Here is an updated PR with all the features I intend to implement. A few changes were made for user convenience such as the ability to return dictionaries with mulliken...
I believe this commit resolves all the requests along with adjusting the spherical coordinate convention to be consistent with SciPy and Sympy, and some minor edits for clarity. I added...
I fixed all of the above formatting errors. I also added some references, converted a few missed floats to sympy representations, and added a few more tests for better code...