Oliver Beckstein
Oliver Beckstein
@aliehlen any kind of help is appreciated. If you are a user of LAMMPS then please say how MDAnalysis could work better for you. Issues should focus on one specific...
I installed pep8-speaks for all of MDA — if it’s too annoying we can deactivate it again or only enable it for specific repos. One can also configure it with...
I didn't have the time to review, sorry. But: >10 times speedup for wrapping/unwrapping — that will finally make these transformations usable 🚀 . Also, getting *compact* and *nojump* will...
The fragment-based wrapping is the crucial one for making sane trajectories.... so any improvements there are _very_ welcome!
nojump would be really good for MSD (@hmacdope recently told someone on the mailing list that they had to use GROMACS for that part) and compact has always been one...
I often use `help(module)` or `module?` and then it's nice if a short, comprehensible doc string appears. If we don't use the doc string in the generated docs then I...
Just for completeness: PR #2982 (stalled) made an attempt at nojump.
We always welcome contributions. Just submit a PR that references this issue. We will then discuss there. When you start the work, please also introduce you on the developer mailing...
Does ``` assert a == approx(b), “error message” ``` work?
@PicoCentauri really stupid question: the current PR doesn't contain a verbosity decorator anymore, does it? It just deprecates the verbose kwarg in `AnalysisBase.__init__` and takes it from the `**kwargs`, right?