Marnik Bercx

Allow `calcfunction` to return a `list`?

1

### Is your feature request related to a problem? Please describe Currently, a `calcfunction` can return multiple outputs by returning a dict where the keys will be used as the...

Target ids are sanitised, so may not align with e.g. references in `ref` roles

1

**Describe the bug** Underscores `_` inside a target header seem to get converted into hyphens `-`, but not for the references. E.g. this `.rst` snippet: ```rest .. _test_snippet: .. code-block::...

Docs: Improve search functionality

2

### Describe the current issue We have quite a bit of documentation, which is great, but often it is difficult for a user to find the documentation they are interested...

CLI: `repository` option missing for `verdi profile setup core.psql_dos`?

1

### Describe the bug I was trying to use the new `verdi profile setup core.psql_dos` command to set up a profile based on a YAML file, e.g.: ``` profile: dev...

🐛 BFGS double reset failure not parsed properly

1

In a not-so-recent commit, the error message related to a double reset of the history of the BFGS algorithm was changed _in some cases_ in the output of Quantum ESPRESSO...