Eric Berquist

> divide our existing changelog into 2(features, bug fixes) or more. I don't think we need to, it should just append to whatever is existing already, and the rest of...

This is pretty clearly at least - GAMESS-UK - Jaguar - Psi3 One I have questions about: - ADF: This is probably important, but AFAIK no one has access. Probably...

Ok, that's good to start with one. What exactly will moving a parser to the attic (which is where Psi4 developers place their old things) entail? I see: - Moving...

@schneiderfelipe Which versions?

> I am not sure how one would handle multiple S^2 values in 1 output file (from SCF and post HF methods). A simple solution would be a NumPy array....

This may be more complicated than I thought. If I do an unrestricted CCSD calculation in Q-Chem, I get one S^2 value: the one calculated right after SCF. The same...

Ok, so one S**2 after SCF for each geometry, sounds good.

Not until the coordinates of every test job are checked.

Yes: 1. From the command line, do ```shell ccget --list myoutputfile.out ``` 2. From Python, once you have your `ccData` instance, you can either call `dir(ccdata_instance)` or `ccdata_instance.getattributes().keys()` on it....

> A separate PR will add entries to testdata and whatever fixes are necessary to get the tests passing. I did need to make one small code change to get...