Marnik Bercx

Statistics on the MC3D rSCF runs (first iterations (`mixing_beta` = 0.4), structures obtained directly from the databases, lanthanides have been avoided here):  I was also curious about the number...

Thanks @bastonero! Adding some extrapolation is not a bad idea, will do so in https://github.com/aiidateam/aiida-quantumespresso/pull/987. Re the next strategy, currently we only adapt `mixing_beta`. As mentioned above, I've never really...

> But proper testing on actual problematic cases is a more accurate solution for sure. Indeed. I'm trying to gather more lower-dimensional cases in https://github.com/mbercx/qe-issues. I think there was also...

> The only problem, clearly, is backwards compatibility. Is it possible that some plugins out there actively relied on this behavior? It's hard to say. I'd _expect_ few developers to...

Quick note to self when testing this: also try an SSH configuration that sets the following: ``` UserKnownHostsFile=/dev/null StrictHostKeyChecking=no ``` This was the case for a certain user, and I'm...

@sphuber finally got around to testing this. Setup/configuration went buttery smooth, really nice that users can just specify the `Host` shortname from the `.ssh/config` and then only have to specify...

When trying to run on Piz Daint, I encountered the following error: ```python | Traceback (most recent call last): | File "/Users/mbercx/project/sirius/git/aiida-core/aiida/engine/utils.py", line 187, in exponential_backoff_retry | result = await...

Good point @danielhollas! Also note that even in the basic tutorial we have a section where we submit to the daemon: https://aiida.readthedocs.io/projects/aiida-core/en/stable/intro/tutorial.html#submitting-to-the-daemon Maybe we should also add a warning here...

One note here is that the `calcfunction` in this case should also return a list of nodes, else the behavior would be confusing.

> I have added a commit on top that now automatically tries to detect a RabbitMQ server on localhost. If it finds it, the profile is configured with that as...