Philip Loche

Results 51 comments of Philip Loche

I reopen since we still have to discuss point 4. My feeling is that we decided to keep everything in MDAnalysis' standard units and do no conversion at all. Are...

+1 for offering a conversion method. This could also live in units.py to be applicable in general. I like to push this also from a downstream perspective. At MAICoS we...

I think there is a deeper question: We should decide what our idea behind the class methods are: Especially `__init__` and `_prepare`. Currently, we do 'things' in `__init__` and inside...

Ahh parallelism.. I didn't thought about that. So `__init__` should consist of main/global checks & initializations whereas `prepare` should only consists of temporal attributes and checks for each worker? This...

I love it if this nice feature gets into the code. I can try to rebase it and review the changes and test it, even though I am not an...

No problem, an eye would be great. I did some tests by my own and it seems that everything is working great. If there are no major objections by the...

@mnmelo would be able to remove the index caching? For you it is probably quick while for me it would took a while to remove the correct lines.

In some way: * `t0`, the argument for the initial step was silently ignored. * `dtmax`, was the argument for the maximal step size considered for the correlation function. During...

Currently, I have to no time to look into this in great details. When we had the last round of nice feedback I had the feeling that the [current state...