Oliver Beckstein

Results 936 comments of Oliver Beckstein

>> For 3.0, all analysis classes should have a defined behavior for parallelization. My opinion is that anything that uses AnalysisBase should have well-defined behavior. Legacy code may still do...

@MDAnalysis/coredevs could I please ask for you to make a decision here? 👍 adopt the proposal https://github.com/MDAnalysis/mdanalysis/issues/4819#issue-2716218969 to break `atomicdistances.AtomicDistances` by replacing `.results` (array) with our standard `Results` instance; the...

Sorry @xiki-tempula , this PR just slipped of my radar. My silence does not mean that it's a bad idea. In fact, typing is a good idea – although I...

Please check how your PR appears on GitHub. There are no changes here.

I am closing this issue because my comments have not been addressed after multiple rounds of reviewing. I understand that GenAI tools can be helpful for accomplishing various tasks but...

Sounds like an interesting selection operator. Do other tools provide similar functionality?

If you already have an implementation then please feel free to put up a PR. It's easier to discuss concrete code than code in the abstract.

@MDAnalysis/coredevs what do you think about adding a `relprop` selection operator to the selection language? You can just 👍 or 👎 this comment (and of course add any comments of...

reconfiguration did not bring coverage back