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The error occurs when the following conditions are met:
1. `submit=True`. Run a script in a non-blocking way. Then a correct script `_aiidasubmit.sh` will be written in the working directory.
2. A…
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I got this error when running QEApp 2024.04.0a3 in the aiidalab docker image aiida-core 2.4.3.
```
$ verdi process report 593
2024-04-27 09:50:57 [2 | ERROR]: Traceback (most recent call last):
…
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In Quantum ESPRESSO, the following alternatives for defining on-site Hubbard U are equivalent:
1. `U Co-3d 5.0`
2. `V Co-3d Co-3d 1 1 5.0`
However, only the 1st one is passed correctly to SIRIUS.…
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When running the unittest `tests/cmdline/commands/test_daemon.py::TestVerdiDaemon::test_daemon_start` locally without specified `AIIDA_TEST_PROFILE` (passed if run AIIDA_TEST_PROFILE='test_profile') i…
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As pointed out by @sphuber , functions outside the commandline interface should not prompt for user input.
I originally thought there were many places where this happens but after searching for `pr…
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When I was migrating AiiDA lab I discovered the following problem: the `-f` option which is described as 'Do not ask for confirmation' is not working as one would expect. I was thinking that it should…
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# Initial modules
| Module | Inputs | Outputs | Ideas |
| --- | --- | --- | --- |
| Electronic Model | Chemical Formula | Ms, A, K, (crystal structure)| If statement that returns know…
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As reported in: https://github.com/sphuber/aiida-shell/pull/10#issuecomment-2107370882
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From what I raised in https://aiida.discourse.group/t/update-aiida-core-version-ask-for-db-migration-do-it/43/5, I foresee a potential issue with the current "core package" feature.
Things were a …
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I set `allow_kinds` to False, then got an error.
```python
properties = {'cell': {'value': [[3.5, 0.0, 0.0], [0.0, 3.5, 0.0], [0.0, 0.0, 3.5]]},
'pbc': {'value': [True, True, True]},
'position…