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Sadness in four steps
```
In [60]: s = StructureData(cell=None)
In [61]: s.cell
Out[61]: [[0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0]]
In [62]: s.cell_lengths
Out[62]: [0.0, 0.0, 0.0…
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# (1)
> from aiida.work.workfunction import workfunction
didn't work any more, instead we use
> from aiida.work.workfunctions import workfunction
# (2)
> try:
> # match the versi…
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I have a strange problem on a clean quantum mobile machine.
Executing the command `(aiida) max@qmobile:~$ systemctl --type=service` shows that AiiDA daemon is still activating
```
UNIT …
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Hi @greschd, I have a genetic algorithm workflow in my pseudopotential optimization plugin https://github.com/unkcpz/aiida-opsp which share and borrow lots of concept from this repository. I am thinki…
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Although the POTCAR seems to have uploaded successfully, it shows that No POTCAR family available . All operations are carried out according to the instructions, and the file is also downloaded from t…
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Sometimes, especially when running Wannier90 in library mode it is useful to read the input file.
We should consider to include a parser for this file. As an initial approach we might reuse what is…
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## Motivation
Since AiiDA started within the field of materials science, the core AiiDA package still contains a lot of data types related to this domain. There are several reasons why we may want …
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https://github.com/aiidalab/aiidalab-docker-stack/actions/runs/9006100849/job/24745209326
The arm64 test failed because of new release of `aiidalab-qe==24.4.0`. Seems pymatgen not able to be install…
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It seems that the caching mechanism does not distinguish HubbardStructureData from standard StructureData.
The very same simulation but changing the structure to be HubbardStructureData is considere…
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Currently all extras are accessible to users. If AiiDA has to store custom data, that we don't necessarily want the user to change without noticing, we don't currently have a namespacing scheme to all…