Atomic Simulation Environment (ASE) for interoperability?

[PaulWAyers]

We should investigate whether some of our interoperability goals for Gopt can be reached by interfacing with the atomic simulation environment (ASE).
https://wiki.fysik.dtu.dk/ase/

I'm not at all sure whether that's a good strategy, but it might make it easy(ish) to extend beyond the Gaussian, Orca, Psi4 (and PySCF?) workflows we intend to eventually support through IOData.

[PaulWAyers]

In general, PyBerny works with ASE, PySCF, and QCEngine. We should be able to use that to template how we can interoperat ewith these too.
https://github.com/jhrmnn/pyberny

[PaulWAyers]

https://github.com/psi-rking/optking (OptKing) can also be a good template. (It works iwth Psi4 and QCEngine).