Marnik Bercx
Marnik Bercx
There is already a data type called `ProjectionData` in `aiida-core` that is used as an output for e.g. the `projwfc.x` code of Quantum ESPRESSO: https://github.com/aiidateam/aiida-core/blob/da179dceef71fe52856b93e756e8bde3b89e2c4e/aiida/orm/nodes/data/array/projection.py#L22 I believe this is designed...
Currently the `plot` commands can only plot the results for a single work chain. However, since one of the nice aspects of the common workflows is to be able to...
When using the `--print-table` option for the `plot` commands, the `Total magnetization` column is shown even in case a non spin-polarized calculation was run, and hence no magnetizations are in...
### Describe the bug I'm running into the following: ``` ❯ verdi daemon restart --reset --timeout 20 Profile: dev Stopping the daemon... OK Starting the daemon with 1 workers... FAILED...
Currently the files from the `remote_copy_list` are copied to the remote _after_ "putting" the files from the `local_copy_list`: https://github.com/aiidateam/aiida-core/blob/a2a05a69fb2fa6aae9a96d49d543e72008d2888f/aiida/engine/daemon/execmanager.py#L245-L268 This was causing issues for me while working around a bug...
Fixes #5970
Fixes #3863 Currently only the top-level keys of the attributes and extras of a node are validated upon instantiation of the node. Nested keys are only (silently) converted to a...
### Describe the bug When using the `!has_key` filter for e.g. the `SqliteTempBackend`, the query will return the result multiple times equal to the number of items in the dictionary...
### Is your feature request related to a problem? Please describe In some cases, I want to use two different schedulers on the same remote, e.g. `hyperqueue` for small jobs...