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After setting up the repository using the credentials provided, when I select a video (I tried 'What is JavaScript in 2 minutes.mp4' and 'JavaScript Tutorial for Beginners Learn JavaScript Basics in 2…
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Hi everyone,
I just had a quick look at the tutorials - they are great!
Nevertheless, I find it a bit confusing for first users to get started with the `get_builder_from_protocols`, as:
1. The wo…
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Just a minor issue that was suggested to be opened at the AiiDA Tutorial:
### Describe the current issue
Getting information about a specific calculation/workflow plugin with `verdi plugin list`…
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It should be possible to set the properties of a `KpointsData` directly in the constructor. Instead of having to write
```python
kpoints = KpointsData()
kpoints.set_kpoints_mesh([4,4,4])
builder.k…
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Issue to discuss details of the implementation of a common workflows to compute electronic bands.
As a first question: what do we pass to the workflow in input? The structure and a list of high sym…
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I find some fuzzy UX problems during the use of the app, this issue is open as the centralized place to collect such problems:
- [x] #419
- [x] #420
- [x] #421
- [ ] #422
- [ ] #530
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## Steps that lead to the error
Do a calculation with ISIF=0.
## What should happen
Calculation finish and parsed with `exit_status=0`
## What happened instead
Calculation ends with `ex…
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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…
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The main blocker of this feature is that the seekpath not yet support the kpath finding for all types of two-dimensional structures. Trace back to the discussion:
That implementation was not genera…
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When a calculation doesn't reach convergence within the number used in the workchain (80 steps) it does a similar restart.
Repeating the same parameters , this could be up to 4 times.
Perhaps at a s…