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In the the v3.23 release ASE has changed how the file-based calculators are interfaced. In general, that means there's less to do in `wfl` as users can provide an [ase configuration file](https://wiki…
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Note
could not be reproduced in SG by user
-- testing SG graph with 'additional motion vectors' set to 'timebased' or 'custom' and no compile errors showing
ASE Error:
Shader error in 'New Amp…
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Hello, developers,I'm using workflow and I'm having problems with some of the units.
When using the generic calculation method (wfl.calculators.generic calculate) in the workflow with the ASE calcula…
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Hello,
I am trying to use the socket mode to run vaspinteractive calculator,
Here is my input python script:
```
import sys
from ase.optimize import BFGS
from ase.io.trajectory import Trajec…
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Hi,
I was using `image_array` with `optimize`.
The optimization happened smoothly but at the last step it cannot save the optimized atoms to xyz file. Now, I temporarily change it to save as `.…
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Dear team,
Thank you very much for your contribution.
When run your notebooks, I wonder how to generate the types (v0, v1, v2) in your dataset?
I saw the function `getRawInputs` which use ase…
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URP 6000.0.9 has changes breaking ASE shaders
**URP 17x 6000.0.9+**
add updated templates for URP 6000.0.9 and higher
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It seems that when converting from `optimade-client`, dependency on `ase` was added.
Was there a specific reason for that? ase brings a lot of other dependencies (matplotlib, scipy) that are not nee…
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embed.set_author(name="sdassd")
embed.set_thumbnail(url="https://assets.trome.pe/files/ec_article_multimedia_gallery/uploads/2018/04/17…
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I get this error when attempting to export any model to .ASE in Blender version 4.1:
> Python: Traceback (most recent call last):
> File "C:\Users\Zach\AppData\Roaming\Blender Foundation\Blender…