Maximilian Scheurer

> AmplitudeVector This is just a dict, you can name the attributes/keys anything you want. `AmplitudeVector(blabla=tensor2, bla=tensor3)` is valid. Hence, no point creating a `DipAmplitudeVector` in your fork. In case...

I don't really _need_ it for anything urgent, moving the gradients forward seems more important right now. (EOM)-CC is more of a fun playground project 😄

> (sorry about the delays). No worries at all 👍

Nice! I have autogenerated code for CC2-LR and EOM-CC, too... also just for fun 😬😂

I would also like to point out that there are different theoretical approaches to evaluate a one-particle density matrix for MP2, i.e., unrelaxed, relaxed, and expectation value. `adcc` implements the...

Yes... probably at some point, just wanted to leave this as a note here so I don't forget it exists. 😬

Thanks for reporting this. Would you be so kind to attach your Q-Chem output file? This would help a lot to get to the bottom of the issue.

Sorry for your frustration with the `adcc` results. I've added the "feature" badge to this PR, such that we can keep track of it more easily, and maybe incorporate an...

Hi, currently there is no such option to obtain ESP charges or similar population analysis. These would need to be computed backend-side (i.e., making use of `pyscf` or `psi4` directly)...

> The point of adcc is not to be like one of the traditional text-in, text-out codes. That's precisely the point! I've never used the Python logger system, but it's...