Oliver Beckstein

Results 931 comments of Oliver Beckstein

@yuxuanzhuang could you please raise issues for the updates to the parallelization documentation (https://github.com/MDAnalysis/mdanalysis/pull/4729#issuecomment-2403681751) — I think that's very important to make clear, given that we are now repeatedly running...

@yuxuanzhuang thanks for the review. Could you please shepherd the PR to completion? (I think we're in feature-freeze for 2.8.0 #4733 but check the issue for updates.)

@yuxuanzhuang I think this one is good to go but please have a last look over.

It would be easy to do it right, just as you say — just not add the line that you commented on (`self.results = self.results.distances`). The problem is that the...

While giving Irfan more time, let me briefly reply to @marinegor https://github.com/MDAnalysis/mdanalysis/pull/4822#issuecomment-2543349469 : > I second Oliver on this -- I'd rather fix the non-compliant class and add the new...

There are plenty of conflicts that need to be resolved. I'd say, ideally rebase this branch against the current main branch. I also opened https://github.com/alchemistry/alchemtest/issues/95 to add data files to...

The test failures are #427 so I agree with you that they are not related to the changes in this PR.

Sorry @jaclark5 this will need merging of master into the PR branch; should fix mypy.

@marinegor if you can spare a moment to look at this PR then that would be great; I think you're really the person with best insight into the DSSP code....

@marinegor thank you for the detailed review. Could you please directly update this PR with your changes? I’d really appreciate that! I’m not sure if I get to working on...