Marnik Bercx

Results 301 comments of Marnik Bercx

> Ideally, the BaseRestartWorkChain provides a hook, like get_outputs, that is called in results and returns the final output mapping. You could then just override this and the rest of...

> As in the second time it is being added it simply is ignored without error (would surprise me tbh)? I think I tried overriding it in the merge step,...

Seems first setting the `output_parameters` in the `create_merged_output` step and then adding the `results` step to the outline actually works. The following work chain: ```console $ verdi process status 9696...

PR is updated to use the feature implemented in https://github.com/aiidateam/aiida-core/pull/5618, but unfortunately this hasn't been released yet. @sphuber any chance we can push for a v2.1 soonish? Also added a...

@sphuber quick question: what's the use of the `generate_parser` fixture? ```python @pytest.fixture(scope='session') def generate_parser(): """Fixture to load a parser class for testing parsers.""" def _generate_parser(entry_point_name): """Fixture to load a parser...

@mkotiuga could you double check that the point group and symmetry labels for the non-symmetry case are to your liking, and maybe how we could expand on the comment here...

@sphuber any idea why the integration CI test is now failing to install the SSSP? 🤔

Unfortunately `'paro'` has only been implemented since v6.6: https://gitlab.com/QEF/q-e/-/releases#new-in-v-66

> Is this something we want to add for the 2020 virtual tutorial? Apparently it wasn't. 😁 Maybe 2021 will be the year though? Adding to project

> I guess at the moment, there is no longer any "running on someone else's computer" in the tutorial. > I think this is one of the strengths of AiiDA,...