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https://github.com/marvel-nccr/ansible-role-aiida/commit/e37869de1ff71e97870c9692ca3ccf4850f2935b completely dropped any testing on the RedHat line (CentOS/Rocky/Alma), which is still a popular Linux …
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Load an example KkrimpCalculation node
```
$ calc = load_node(...)
$ calc
```
and run the `find_parent_structure function` results in the following error
```
$ find_parent_structure(calc)
Wa…
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## Motivation
When computers and codes were originally designed, a certain level of rigidity on their properties was established in order to try to impose a stricter level of control over the prese…
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implement get_builder function for calcjobs (need to check how it works, at the moment if I do singlepoint.get_builder I only get Process class: Singlepoint
Inputs:
metadata:
options:
stash:…
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Question arose while working on
https://aiida-tutorials.readthedocs.io/en/latest/pages/2019_ISSP_Chiba_Japan/sections/calculations.html#computer-setup
Indeed - `verdi code list` shows PKs, while `…
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We are planning a meeting with the DataPLANT Guys to present our progress with ARCs, Workflows, ...
We`ll need a Powerpoint for that!
Save File **in Concept Repo**
Can not create an Issue with two De…
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Currently, there is an [open PR](https://github.com/aiidateam/aiida-core/pull/3787) on `aiida-core` which is touching transport plugins. This plugin needs some modifications which are suggested by @gi…
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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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The [workchain tests](https://github.com/aiidateam/aiida-cp2k/tree/main/examples/workchains) concerned with restarting have been failing on the [CP2K Dashboard](https://dashboard.cp2k.org/archive/aiid…
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I would like to create an Aiida database where the most important thing are the sparse matrices of each SIESTA calculation. I guess for now these are kept as files, but this makes it more difficult to…