Edgar Solomonik

Thanks, should noa and nva be set to #electrons and #orbitals generally? Also, just in case anyone uses this for reference, I think it should be fakemoints { noa ...,...

Ok, I see. I started changing the test/water_clusters/make_input.py script to have an option to use fakemoints, but I've realized I don't know how to determine norb there, to do it...

I would prefer not to hardcode anything if it is not too hard to do generally. Seems perfectly plausible that it would at some point be desirable to benchmark without...