Hugo MacDermott-Opeskin
Hugo MacDermott-Opeskin
I might copy paste a few pros/cons from #3545 **Benefits** * We move away from a more haphazard system of doing some things in some precision and others in others...
Another note here is that if we do decided to restrict to float32, we can get better performance out of the numpy-cython C-API parts of the library by enabling C...
I don't think we are being impeded by the lack of datatype flexibility, if anything it makes things a lot more complicated. However as you say, the pursuit of pure...
Is the best strategy perhaps to work on type flexibility around the edges, eg on all ops before relaxing the explicit requirements such as this one. https://github.com/MDAnalysis/mdanalysis/blob/develop/package/MDAnalysis/coordinates/timestep.pyx#L200
Thanks @orbeckst! I will open ~an issue~ a PR to fix the naming. The things that could be exposed as you say have to be sensible and stable. - Timestep...
@umak1106 just a quick note, I am adding type hints to a lot of `distances.py` as part of #3730, you can probably leave that one to me for now.
Hey all, I would love to work on this if possible?
Really good point @RMeli. I guess it depends if the stack allocated memory is faster or not but does sound a lot less complicated.
@mdaviesNCL are you thinking of applying for GSOC or Outreachy with MDAnalysis this year? I ask because if you are thinking of applying, you will need to introduce your on...
Random guesses but does using '''python def __iter__(): pass ''' or the forward declaration as a string '''python ag: 'AtomGroup' '''