Sebastiaan Huber

> I know @sphuber has been working quite a bit at moving all the parsing to the XML file for the PwCalculation though. ([see the corresponding branch](https://github.com/aiidateam/aiida-quantumespresso/tree/fix/353/pw-parser-xml-only)) Maybe we should...

What about the `output_trajectory` of the `PwRelaxWorkChain` though? It can run multiple `PwBaseWorkChains`. Should those also be merged? I am still not convinced that it always makes sense to merge,...

> True, but perhaps some of the outputs that require merging will change? Perhaps not, but I'd avoid having to deal with adapting the merging as well in the XML...

> One idea would be to add a tool to the `PwRelaxWorkchain` in the `tools` namespace that merges the output trajectory. @sphuber is there any reason why we wouldn't extend...

Can you please provide a minimal-working-example (MWE) to reproduce this? What were your input parameters?

> Can you add a test that covers this case before merging? ~~This PR includes a regression test already~~ Seems I have removed it in one of the iterations. I...

> I'm now trying to figure out why these two are treated differently. The `OSError` is a broad catch-all exception. The `FileNoteFoundError` is a subclass of `OSerror` and more specific....

Superseded by #6447

Although psycopg is supposed to be more efficient, there are a few sources online that suggest this is perhaps not always trivially the case: * [Discussion by the author of...

Another interesting thing is that since the very beginning of AiiDA (I remember this being there pre-v1.0) profiles (`core.psql_dos` ones) contain the `database_engine` key. This is still an option in...