Fix and refactor higher-order multipole moments. #18
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Previously there was a simple typo (Nibcint instead of Libcint) that made the quadrupole to hexadecapole functions defunct. I took that as an opportunity to refactor the multipole code. I also added tests for the higher-order moments, based on reference data generated with pyscf. This is not ideal, but I did not know where else to easily get a reference.
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Previously there was a simple typo (Nibcint instead of Libcint) that made the quadrupole to hexadecapole functions which I needed defunct.
I took that as an opportunity to refactor the multipole code a little bit.
I also added tests for the higher-order moments based on reference data generated with pyscf. This is not ideal, but I did not know where else to easily get a reference.