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This is for simplifying the code for a system with many local symmetries. I would like a feature that a symmetry can have a "tag"; the symmetries with different tags are referred to as different symme…
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Hello I tried to run the code given and I came across a missing package I can't find, 'lattice_symmetries'. Which package/github repository does it correspond to? Or it could be my problem since I did…
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Getting the forces on Silicon with a 2x1x1 kgrid gets a nonzero result (irrespective of symmetries settings). This is consistent with finite differences. OTOH abinit gives zero by default. Setting nsy…
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Dear contributors,
I am encountering problems when trying to run the stochastic heat bath CI algorithm (SHCI) for molecules with symmetries.
I have installed Release v1.0 of Dice together with the…
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**Is your feature request related to a problem? Please describe.**
```python
from collections.abc import Callable
from functools import partial
from pydantic import BaseModel
import gdsfact…
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To support symmetric problems when using a lid for irregular frequencies removal, Capytaine would need to support joining two `ReflectionSymmetricMesh` with the same plane with `+`.
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Extracting metaphors and symmetries from code using language models (LLMs) is an interesting idea. Here's a high-level approach that could be taken:
1. **Code Preprocessing**:
- Tokenize the code …
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Useless, when looking for a triangle, to test both abc, bca, and cab. The same is true when looking for Cycles, for complete graphs, etc...
There may be a way to generally deal with those symmetrie…
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### Proposed new feature or change:
`Einsum` has been fantastic for computing tensor contractions. However, there are two additional supports I believe would greatly enhance its functionality and e…
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Psi currently can't project orbitals across different symmetries. Attempting gives you the error, `Cannot compute projection of different symmetries.` We should be able to project to the proper subgro…