Rocco Meli

Yep, sorry about that. I was trying to avoid #4361 from repeating.

Sure @orbeckst. I think this is still blocked by review comments that have not yet been addressed.

Hi @AHMED-salah00, welcome to MDAnalysis and thank you for your PR. > This PR is still under development, Still needs a lot of work... If this is the case, could...

Related to https://github.com/MDAnalysis/mdanalysis/issues/4139

@utkarsh147-del the `select_atoms` function selects the specified atoms, while the `hbonds.guess_hydrogens` and `hbonds.guess_acceptors` functions guess which hydrogen atoms and which acceptor atoms should be used in the hydrogen bond analysis....

@utkarsh147-del by docstring I mean the [Python docstring](https://peps.python.org/pep-0257/#what-is-a-docstring) of the [`hbond_analysis.py`](https://github.com/MDAnalysis/mdanalysis/blob/develop/package/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py) module. This is what you are suggesting to change in your comment. Therefore, the [commit on your fork of...

@vachram97 I took the freedom to fix the conflicts for you, so that we can move forward and see how CI is faring.

I get the following failure on `hohgant`, when running the `RANK_6` tests: ```text 57: Test command: /scratch/e1000/rmeli/git/DLA-Future/build2/test/unit/multiplication/test_multiplication_hermitian 57: Working Directory: /scratch/e1000/rmeli/git/DLA-Future/build2/test/unit/multiplication 57: Test timeout computed to be: 1500 57: Running...

@rasolca Every time so far, but I only tried a few times before asking @msimberg if he ever saw the same issue.

HermitianMultiplicationTestMC https://gitlab.com/cscs-ci/ci-testing/webhook-ci/mirrors/4700071344751697/7514005670787789/-/jobs/7140403898