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I feel the documentation is lacking a top-level "primer" of what aiida-core is/does (plus having this terminology permeate in the API code).
Something along the lines of:
> AiiDA is a workflow e…
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In DFT+U calculation, user need to specify the manifold for the element, e.g.,
Co: `3d`, O: `2p`
Instead of inputting the value by the user manually, it would be better that we read the valence…
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since there are anyhow plans to move the `config.json` to a `config.yaml` format in aiida-core https://github.com/aiidateam/aiida-core/issues/2701 , it seems to me we should think a bit about how to d…
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### setuptools version
setuptools==60.9.1
### Python version
Python 3.8 and Python 3.9
### OS
Ubuntu 20.04
### Additional environment information
_No response_
### Description
Since `setuptoo…
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Please check these boxes before submitting your issue, thank you!
- [x] aiida-vasp and aiida-core are installed in a virtualenv that is used for nothing else
- [x] if you are installing from the…
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## Motivation
This user-story is slightly more technical then it should be, but there is no real other way of phrasing it. Essentially it boils down to the following:
One of AiiDA's main functio…
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Bit of an odd one; if you list the groups then the SSSP groups don't show up, despite them being present and accessible by label:
```
$ verdi group list -a
PK Label Type string …
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## Motivation
AiiDA is mostly used in the chemistry and materials science domains, where Python is very popular. Many users, therefore, will have Python-based codes that they want to use through or…
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I am not familiar with the genesis of the `aiida-testing`, but it is obviously highly generic and does not convey what functionality the plugin adds on top of what already exists in `aiida-core`.
S…
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@lorisercole @csadorf The flippercalc needs to work with the new AiiDA workchains and the imports from AIiDA >= 1.0. I will create a new branch migration-flippercalc and work on that branch to fix tha…
lekah updated
4 years ago