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Respected Sir,
I was evaluating BCD for system 1H-MoS2 monolayer. As per the literature, the BCD should be zero for system having C3v symmetry. When i add C3v symmetry in system.set_symmetry(["Tim…
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CE-Symm 2.2.2 gives an error when writing out the symmetry of the [N0BET9 AlphaFold model](https://www.alphafold.ebi.ac.uk/entry/N0BET9):
```
runCESymm.sh --simple - -J --rndseed 1 -v AF-N0BET9-F1…
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### What are you trying to do and how would you want to do it differently?
I would like to be able to utilize symmetric boundaries, especially rotational.
### Is it something you currently cannot do…
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Hello!
Our IT installed a recent version of StarMap to our cluster and the following modulefile was made to load it:
```
module load chimera rosetta/2021.16
setenv ROSETTA3 /.../rosetta/2021.…
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Dear developers,
As the title suggests. When I try to use the `dmrginit.py` tool on a molecule with a high degree of symmetry (D2h) an error occurs right at the end of the execution. Specifically, …
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Extend symmetries for magnetic groups, see [refs](https://spglib.readthedocs.io/en/stable/references.html#magnetic-space-group) and the [spglib docu page](https://spglib.readthedocs.io/en/stable/magn…
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I noticed that the counts you algorithm returns do not take into consideration the symmetry of the pattern, such that the same triad (i,j,k) can be counted multiple times according to the number of pe…
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#### 그림 90.4.13.a1. 대칭 그리기 대화상자
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We have an inconsistent use of stellarator symmetry (the discrete one) that leads to computing quantities incorrectly.
Here is a toroid surface with an elliptic cross section and torsion.
```python
…
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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 …