Irfan Alibay

Results 473 comments of Irfan Alibay
trafficstars

> I think not writing secondary structures back out probably solves a lot of headaches. It’s easier to consume a format than produce it. > […](#) > On Mon, Aug...

To add here, I have made the conscious decision to not add release notes in the wiki, they are already on the release page and I see no point to...

I'd just archive it tbh, I don't know if some of these historical ones are still only available via the wiki.

So my main questions are: - Are there any OS / compiler limitations? (i.e. will distopia work on Windows?) - Where are you planning on running CI for this? The...

I should note, running CI on a cron job on the distopia side of things might not be feasible, iirc the current gh actions limitations means that CI will stop...

> open a second issue for point 2 ("Write out XYZ with atom types when names or elements are not available (applicable when LAMMPS files are imported)") Yes please, I...

Regarding appending - I'd like to better understand the use case. Under what case is this necessary? Why is it not feasible to have all cases of writing to a...

> I don't see the harm in adding a keyword argument as most users won't even know it's there. Unfortunately the problem comes down to "long term maintenance", small changes...

> @IAlibay not totally sure we can do that without an append mode -- the writers require the number of atoms to initialize and I think XYZWriter might run a...