aiida-core
aiida-core copied to clipboard
aiidateam
The official repository for the AiiDA code
I accidentally override `run` method of `WorkChain` in my own work chain as a step. Then I have struggled to find what happened to my work chain. The part of...
Docs: examples on creating data plugin fail because they do not include registering with entry point
https://aiida.readthedocs.io/projects/aiida-core/en/latest/topics/data_types.html?highlight=#creating-a-data-plugin The examples should explain that an entry point is required.
The `skip_orm` flag was added to these methods in https://github.com/aiidateam/aiida-core/commit/b40b2cabc073784266adebfd1707638aa60cdf29 and https://github.com/aiidateam/aiida-core/commit/bced84e4c7e00a368e2e10f100b51a4a19bfd7ba However, it is not currently used anywhere in the code base: - For `add_nodes`, it was effectively superseded...
### Is your feature request related to a problem? Please describe When using tab-completion in an IPython kernel (console or notebook), the user gets a very long list of methods...
Example is `verdi code setup`, when asked whether it is `--on-computer` (i.e. a boolean flag), when submitting `?` instead of a help message, an error with `invalid input` is returned:...
The documentation would benefit from a topic on "storage". This should be aimed at more advanced users who want more in-depth and detailed information about what is meant with "storage"...
In old AiiDA 0.x, export files could have dangling links - with the idea that one could just perform delta incremental exports, for just a few more nodes w.r.t. to...
Currently the `Computer` class is fully immutable when stored. This can cause usability problems when people configure it incorrectly, most notably the `mpirun_command`, and once they notice it after having...
tested on aiida-core `release_0.12.3`: ``` $ verdi data trajectory show 184 Default format is not defined, please specify. Valid formats are: xcrysden jmol mpl_heatmap mpl_pos $ verdi data trajectory show...
See PR #4360 for the reason why. Because the fixture manager code rolls its own code to create configs and profiles, and the code is not tested, it is too...