Sebastiaan Huber

Results 530 comments of Sebastiaan Huber

Thanks @mbercx . I don't have the time to go through all of it, but indeed from first glance, this looks like quality code. Happy to approve it if you...

@mbercx Agreed. If you can update the branch making sure tests pass and add some minimal docs, I will approve. Thanks!

Sure looks good to me! Thanks a lot to both. Just make sure to squash merge and add a nice commit message as per yuzh

> I would add an initial (optional) relaxation with its very own namespace. The use case is described in https://github.com/aiidateam/aiida-quantumespresso/issues/705, i.e. it allows the user to set loose precision settings...

> @sphuber: As a side note: what should the "best practises" for validator methods be? i.e. do you agree with the following: > > 1. We add them as a...

> I also don't immediately understand it's use, so if you agree I'd "fix" this issue like I did the automated parallelization feature. 😏 I prefer you didn't :D It...

> I also like the idea of using the tools namespace consistently as a place to put these kind of utility methods. If I remember correctly we do something similar...

@mbercx I think it is time to bite the bullet on this one. If the comment above is correct and all versions of QE v6.2 and above will always have...

Just FYI, I have been working on this already and almost have something ready. Will open a PR soon and then we can discuss online. But have some other pressing...