[WIP] clearer trexio eri interface #105
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This is just one example of a way to address the issues brought up in Issue #103
The changes here are just the first implementation I thought of that adds some clarity/safety, so I'm not strongly attached to the way I've done it here, and someone more familiar with pyscf might know of a cleaner way to handle it, especially regarding the
ao2mopart. I'm not familiar with all of the possible options for input/output symmetries, so it might make sense to pass some more args through to that function to allow for various possibilities.I also haven't changed/added any tests here, but I could do that if there is any interest in merging the PR.