Eric Berquist

@editorialbot generate pdf

Back to trying to understand what the state of thermochemistry was before these changes. I'll check the units in the docs, but the results look like things where either implemented...

I checked the docs at the old revision, and all are given as hartree/particle (or hartree/particle*kelvin for entropy). So I think all the thermochemistry changes are not breaking: the units...

There is a reason for converting these back from f-strings, specifically for logging calls. If your logging level is below what would be sent to the log, the arguments passed...

I will tag 2.0a2 on `main` once this is merged to `master` and `master` is merged to `main`.

@shivupa Please make the PR with the output to cclib-data.

This is not something parsed for any program (the comment string) but is definitely useful. It can go in the [metadata](https://cclib.github.io/data_notes.html#metadata) as `comment`.

I've added this under the `metadata` attribute with the `comments` dict key as a list where each element is for each detected job. It's in the `master` branch and will...

In order for push workflows in forks to work, the latest tag needs to be present in the fork. People shouldn't need more commits aside from the latest default branch...

Apologies for the late response. The reason for this is because we currently only have one version of the docs and it mostly only follows the `master` branch rather than...