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WDYT? Is this publication in scope?
```
@article{Kang_2023,
author = {Kang, Yongze and Yu, Qingyuan and Qin, Lingyue and Zhang, Guoyan},
doi = {10.3390/sym15061196},
issn = {2073-8994},
journal = …
aewag updated
15 hours ago
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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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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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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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At the moment we report the fraction of unindexed reflections but this does not give you a hint as to why they are not indexed, i.e. are they a second lattice or just spots from microcrystalline ice?
…
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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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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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### 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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The following input file:
```
molecule fluorine {
0 1
F
F 1 1.4113
}
set globals {
basis cc-pvdz
reference uhf
scf_type pk
…