Jonathon Misiewicz

I can re-review when this passes tests.

```But do we also want to (2) require the user to set qc_module=mrcc|adcc|chemps2 ?``` If you mean require it _to use the add-on only method_, I would say no. I...

I don't know what your background is, so I'm going to write this explanation at a level accessible for a first-year graduate student, though it will still be dense. Many...

Thanks for this! Mimicking is the right thing to do here. We encode irreducible representations into bitstring so that the nonzero blocks of our matrix are exactly those with the...

And in this special case, we can probably bypass most of the energy computation, except for some integral generation.

@TermeHansen Does "SCF" here mean HF or some DFT functional? If a functional, which?

Another problematic case: ``` molecule { 0 2 C 0.000000000000 0.000000000000 -0.645482303943 N 0.000000000000 0.000000000000 0.553149090326 } set basis cc-pcvdz set reference uhf energy('scf') ``` I can converge the SCF...

[From forums.](http://forum.psicode.org/t/difficulties-converging-uks-energies/1757/2) ``` set_num_threads(8) molecule mol { 1 2 C 0.81874699 0.86417234 0.18828612 H 1.46611361 1.71666767 0.34472141 C 1.36899712 -0.39052394 -0.06669818 H 2.44303637 -0.51186194 -0.11057444 C 0.53437860 -1.48849320 -0.27188804 H...

Unmarked as a good `new_dev` issue. It isn't sufficiently clear to me what exactly the smart SCF solver will do. As somebody who was _there_ when a first-year CCQC student...

I'm having second thoughts about this PR now. Should we deprecate the old constructors first? This PR will require changes in Forte as well.