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Proposed tasks:
- [ ] Work with MPCDF to implement functionality
- [ ] MPSD add it to AiiDA
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The concept is that anything that works better as OpenFF crystal tools would be moved to an OpenFF repository that can be automatically tested and conda released, with explicit calls to OpenFF toolkit…
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This list and below have been adjusted by ChatGPT including ideas that I have asked it to create. It still needs to be polished and adjusted.
# Terrain
Terrain should generate after river noise to p…
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Issue Documentation is http://handbook.arctosdb.org/how_to/How-to-Use-Issues-in-Arctos.html
**Goal**
Appropriately describe mineral parts
**Context**
geosample is too vague
**Table**
https…
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When exporting an xyz file from Aiidalab, no crystal symmetry information is stored. If this file is used to import a structure back into Aiidalab, the software automatically creates a periodic struct…
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Looks like the Dall-e prompts are broken again in that they are not being used for prompting dall-e beyond what is passed. Thus creating an image that is somewhat relevant but not that great. Could b…
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Thank you very much for your contribution! Here are my training commands for step 2 (I used conz_1.yaml):
python scripts/condition_diff_z.py --model_path /home/ps/yhx_project/Con-CDVAE-main1/ou…
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This is great work. Thank you for open-sourcing the code!
However, when using pt2CS.py, I get the output: Counter({'triclinic': 3, "error'NoneType' object is not subscriptable": 1}), and it's unable …
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### System Info
- `transformers` version: 4.42.0
- Platform: Linux-5.15.0-105-generic-x86_64-with-glibc2.35
- Python version: 3.9.19
- Huggingface_hub version: 0.23.4
- Safetensors version: 0.4…
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Hi,
I was going through the first tutorial, crystal_structure. When I run this command:
print "Stress tensor (Voigt notation eV/A^3):", cryst.get_stress()
## I get the following error:
ValueError …