implement scf_solver to run density fitted SCF #452
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Before this PR, QDK/Chemistry has DF-SCF using internal setup (inside namespace
qdk::chemistry::scf). This PR exposes the internal code all the way to python, so that users can run DF-SCF with the algorithmscf_solver.To use DF SCF, users are normally required to construct a
BasisSetobject that contains both the primary and auxiliary basis, then pass this basis set object to therunfunction ofscf_solver. (Note when working with 4-center SCF, therunfunction is more flexible: when the basis set is a standard basis set, users can also pass the name of the basis set as a string to therunfunction, without explicitly constructing theBasisSetobject ahead of time. )Alternatively, users can pass guess orbitals to the
runfunction, as long as the guess orbitals are generated from the same primary and auxiliary basis sets.