Jochem Nelen

> Hi @Jnelen > > > but I ended up using [Pebble](https://github.com/noxdafox/pebble) since this handles both at the same time. For my specific use-case I think it was the most...

I finally got around to integrate `pebble` into a multicore function. I kept the "old" version for now, but if you agree, I will delete those, and just keep the...

> > This time I only time the RMSD calculations themselves, and exclude the loading of the molecules (`io.loadmol`). > > Thanks! Would you mind sharing those benchmarks as well,...

I just pushed the commit where I reverted rmsd.py and test_rmsd.py. I reverted to previous commits of these files, so it should be fine. I added a separate parallel.py and...

I wanted to merge the latest `develop` branch with this branch via Github, but it's complaining about conflicting files (tests/molecules.py). However I can't resolve the conflict because I don't have...

> @Jnelen usually you should be able to do it, since it would be modifying your own branch/fork and not the main repo. It turns out I can't do it...

I merged the latest branch and updated the tests. Honestly I took the updated tests from tests_rmsd which use `rmsdwrapper`, and made them use `prmsdwrapper` instead. I also added an...

> Thanks @Jnelen! I'll review the main function ASAP, sorry for the delay. There is no rush at all! Please only do it when you have the time! > Yes,...

I just pushed an update where I tried to address most of your comments. I think the main thing still is fixing the (potential) issues with chunksize >1 and adding...

Alright, I made some minor changes (I added a check as you suggested), and also changed the printing to a more compact warning. I'm thinking maybe add a test where...