avcopan / scfexchange

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Separate AO from MO integrals #24

Closed avcopan closed 7 years ago

avcopan commented 7 years ago

I think it makes more sense to move all of the AO-basis integrals from Orbitals to Integrals and rename these classes to MOIntegrals and AOIntegrals, respectively. Most codes will require one or the other but not both, so I think this is better aligned with the expected usage. The new get_ao_1e_mean_field function can simply take mo_coefficients and mo_slices as arguments.