Irfan Alibay

Results 487 comments of Irfan Alibay

Ok sounds good, I'll do a review of our stack after we fix the tests & testsuite problems. We can bump up anything that's completely out of range & add...

@SanjanaSogimatt please do go ahead and open up a PR with code to solve this issue.

@SanjanaSogimatt please have a look at our userguide on contributing to MDAnalysis: https://userguide.mdanalysis.org/stable/contributing.html If you open up a pull request which addresses this issue we can guide you through the...

> Looks as if we're dropping TRZ in 3.0. > > Then we need to add deprecation warnings for 2.8. I think I already did that deprecation a few versions...

pseudo-duplicate of #2362 (specifically the masses section of the first comment)?

For Al & Si, the particular problem with the GRO parser is that we're guessing on a guess. Especially with the atomtype guesser being so inaccurate, you end up with...

Also going to link #2918 since that aims to avoid type guessing in cases where we can avoid it - [Note to self; try to get that done for 2.0...

I was trying to remember where the main discussion for this was, here it is: https://github.com/MDAnalysis/mdanalysis/issues/2348 > I hope I don't sound too harsh. I see this is a discussion...

> Might I propose for the 2.0 release to throw a warning every time a guesser guesses a value, thereby making clear that the user might be doing something they...

> I hate to say it but 2.0 would be the ideal point in time to stop guessing. We can then gradually re-introduce means to derive information in better controlled...