Eric Berquist

@Andrew-S-Rosen will you be guinea pig again? I'm still paranoid that it's still possible for me to break a release.

> @berquist: [Looks good to me!](https://github.com/Quantum-Accelerators/quacc/pull/1896) @Andrew-S-Rosen Sorry, I meant v1.8.1, the final tagged release.

conda package updated in https://github.com/conda-forge/cclib-feedstock/pull/9. I also added some more smoke tests, enumerated the rest of the optional dependencies, and started enumerating downstream dependencies.

There is still developer documentation to be done but the final checklist above makes it clear what remains, including any magic with branches, tags, and versions on both repositories.

The paper has been submitted and the first 2.0 alpha tagged (https://github.com/cclib/cclib/releases/tag/v2.0a1). Even though the paper will likely need revisions and it will take some time to finish making 2.0...

> maybe this is a general problem of wrong density matrix for all the ROHF QM calculations parsed by cclib Yes, this is a problem with almost all of our...

Thank you for the bug report. Since you propose a solution, would you be able to make a pull request with these changes, and submit an output file that triggers...

Regarding the comment about Gaussian on #1006, GoodVibes does it (https://github.com/bobbypaton/GoodVibes/blob/1d9a5e11cbaa71363726ed5bd03f301a2dcde1b5/goodvibes/io.py#L559) and I don't see a problem with adding it.

> So do you see cclib invoking a parser within another parser? I could also envision doing this for how Psi4 drives CFOUR.

@schneiderfelipe Can you make a PR to cclib-data with the logfile?