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Absolute new to python here...
Congrats on the project!
Any chance you could add Open Field Analysis module from Pylinac (field size, symmetry, flatness)?
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### Describe the bug
When calculating the surface energy of a 7-layer bcc Mo, relaxation calculations were performed. In this process, **_the bottom three layers were held fixed_** to replicate a sem…
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### Preflight Checklist
- [X] I have read the [Contributing Guidelines](https://github.com/SchweizerischeBundesbahnen/netzgrafik-editor-frontend/blob/main/CONTRIBUTING.md) for this project.
- [X] …
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With gcc/5.3.0 and cuda/8.0.61 the test fails.
This may be simply a case of an overly optimistic epsilon in the test.
```shell
start reading function : leading-eigenvalues
start reading fu…
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We used to have "symmetry" as a metric in one of the figures included in the SCT Course/Web Tutorials. The symmetry diagram was recently removed when this figure was re-made by @valosekj, because "sym…
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> You do not need to put in anything here :)
> Just open the issue by clicking the green "Submit new issue"; within 10-15s, a message instructing you how to upload your files should appear!
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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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It would be helpful to have a "orbital symmetry" item in problem_description in the BroomBridge v0.3. to reflect the irreducible representation of each orbital. Such feature could be useful in propert…
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The following input file:
```
molecule fluorine {
0 1
F
F 1 1.4113
}
set globals {
basis cc-pvdz
reference uhf
scf_type pk
…
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In this example,
```
a = b = 4.05012 # angstroms
c = 6.75214
lat_vecs = lattice_vectors(a, b, c, 90, 90, 120)
Crystal(lat_vecs, [[0,0,0]], 164; types=["Fe"])
```
Sunny builds the correct cryst…