Lori A. Burns

I'm pretty sure those files are present only because you did an internal build of L2. That is, the files weren't provided by the Psi4 project, except as a build...

I've restarted it, which has worked before. If it's the same problem as I've seen on Windows, it has to do with the latest NumPy. Haven't investigated why its sporadic...

I can believe it. Good idea. I think one can just check the procedures dictionary. ``` >>> 'b3lyp-d3bj' in psi4.driver.procedures['energy'] True >>> 'asdf-d3bj' in psi4.driver.procedures['energy'] False ```

Thanks for the round-up, Philip. I agree with your assessments. The remainder aren't readily "solved", so I'm ok with having this issue closed by your PR.

would a `psi4.core.clean_options()` between the two work sessions be helpful in the meantime? a more targeted but confusing way would be with the "revoke" commands https://github.com/psi4/psi4/blob/master/tests/pywrap-checkrun-convcrit/input.dat#L53-L55 but not recommended.

I see your results, too. What's the overall intent of the `num_frozen_docc` here? Are you wanting plain frozen core or is this preparation for something more complex? Note that we...

Purportedly, @bennybp has a memory manager in pulsar.

Moved from #476 so as to not clutter issues. - [ ] Here lie uses for general Cholesky machinery. - [ ] Fock-type terms in DF-SAPT, particularly higher-order, see #317...

@CDSherrill requests a disk use estimate. Could just be final disk use as a system call before cleaning (https://github.com/psi4/psi4/blob/master/psi4/run_psi4.py#L196).

- [ ] Implement logging for PsiAPI mode so that output files (currently w/o Psi4 header or any record of input commands or options) aren't so mysterious. At minimum, print...