Maximilian Scheurer

I agree. However, all of the logging needs to 'co-exist' with stuff like `print(state.describe())` etc. I think I'm in favor of steering 'meta' output on the progress of the calculation...

> What gauge is used for our rotatory strengths? Always velocity, right? Yes, in `adcc` we only use velocity gauge. > Also do you have a good reference (paper, textbook)...

_Having_ these features is not a problem at all. _Testing_ and verifying them is another issue. Furthermore, not all backends support all of the solvation models. For PE, it was...

Thanks for reaching out, I'll look into it!

We did some refactoring that broke pip upload, so I'll need to merge #44 first and then make a new release. Feature-wise, there are no changes in versions >0.3.1. Which...

I will try to mint a new release in the following days. Sorry for the problems, please use the 0.3.1 version for the time being. The newer versions will just...

Cool! One issue: I've only made bad experiences with automatic versioning so far... what if you distribute a .tar.gz file which is *not* a git repo - how's the version...

Thanks 😄 About the versioning... that's exactly what I was talking about above and the reason I always stuck with `bump2version`. It's not fancy but at least you get the...

Sounds quite tricky and annoying 🙈 I wonder at which point one should just give up... I always thought cppe was lightweight enough such that the step from CMake to...

I'll take a look, thanks! 😊