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I believe there is a bug in the parsing of CIF files.
The [LoadCIFData() function](https://github.com/lsmo-epfl/EQeq/blob/17d0971f61bb0860efdd87bca5fe9bc567203480/src/main.cpp#L1032-L1067) assumes …
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Hello！Your work is very good but I can‘t find the large-v3 version of cif model. How can I get / train a large-v3 version cif model?
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When performing a refinement, if I allow the `a` lattice parameter to change such that the diffraction peaks shift, and then untick the `Vary`-button, the spectra shifts back to it's previous state wi…
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We recently switched from PDB > CIF with two main motivations:
- store metrics (like pLDDT) without abusing b-factor, and hopefully store pairwise interaction metrics as well (PAE etc)
- better c…
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Hello, I found it is not able to import the CIF file from ICSD database code 6233. but it works in Athena. I try to export the .inp Feff file, then import to Larix which is not working unfortunately. …
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### Affected Version of Concrete CMS
8.5.x, 9.x
### Description
When we generate CIF files we sometimes export attribute values using `htmlspecialchars()` (eg `app('helper/text')->entities()`…
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Currently this package provides a direct view of CIF data (which is great!).
For my (very limited) use, I have written a small script to extract the element and positions of the atoms.
Would mak…
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Buna ziua,
Nu pot sa inregistrez cererea pentru accesul la registru. Am incercat de mai multe ori, nu reusesc. Aceasta e eroarea.
Reges OnlineA apărut o eroare la acordarea dreptului de acces pe…
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Hi! I was studying Geometric GNN and trying to use your network to predict one paticular property. My dataset was in **cif** form. However when i added `--file_format cif` to make the network predict …