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This use case comes from the `aiida-vasp` plugin. The VASP code expects a single file named `POTCAR` with the contents of the required pseudo potentials concatenated for the various elements. The `Vas…
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As discussed in #2768, running a calculation with the `metadata.dry_run=True` option should, in some way, provide a programatic link to the created submission folder, *via* the returned `CalcJobNode`…
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Hi,
I've been using this plugin for a couple of weeks now, and haven't had any issue and I'm pretty happy with it, however today I got this:
`Error detected while processing function 6[1]..GdbPar…
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While trying to move the `aiida-zeopp` to aiida 1.0, I have encountered a strange issue when retrieving files back from a completed calculation using my plugin.
I'm running the calculation with `…
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Minimal example:
```python
import math
import numpy as np
import meep as mp
from meep import mpb
geometry_lattice = mp.Lattice(size=mp.Vector3(1, 1),
basis1=mp…
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Neovim does not work in Cool Retro Term. Terminal works as intended, you run neovim and the text is gone (even after you exit nvim).
- `nvim --version`:
```
NVIM v0.2.0
Build type: Release
C…
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Regarding the kpoint_path options in Wannier90 , do you use it by giving in input a KpointsData? The plugin now uses that just to get the special points, so with @giovannipizzi we were thinking to all…
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run.py a nice, but naive try to implement a one command run the same with different codes. But you fix/assume a workflow interface (first of what inputs are required, second what their name/label is).…
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Add tests with travis, including documentation compilation, and checking that `load_dbenv()` is not needed to do a "bare" `import aiida_wannier90`
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I tried to install avogadro-1.1.1 from tar.bz2 file (link: http://sourceforge.net/projects/avogadro/?source=typ_redirect) on my Ubuntu 13.10 64-bit owner system.
I followed the instructions from the …
cryos updated
8 years ago