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Hi,
the last version of biblatex add `\textnohyphenation` in `\mkbibnamefamily` in french, which create spurious space in some specific cases.
Here a MWE showing the problem.
```
\document…
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I have spent several days unsuccessfully attempting to get JDFTx to work with the CRAY environment and nvc++ compilers on ALCF's Polaris supercomputer. These include issues with not recognizing GSL 2.…
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This is a continuation of https://github.com/phetsims/qa/issues/1039.
Primary fix was for https://github.com/phetsims/qa/issues/1036 / https://github.com/phetsims/website-meteor/issues/656, fixing …
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**Summary**
When a user specified NWRITE in INCAR before they begins a vasp task, Vasp may not dump enough information into OUTCAR, i.e. some keywords are missing. Thus the converted type_map.raw w…
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This patch should be addling english-string-map.json and string-map.json to the built output directories for https://github.com/phetsims/rosetta/issues/384, to enable https://github.com/phetsims/chipp…
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Hi
I would like to use MACE with .traj files instead of xyz files. I think it can be made possible if the forces, stress, energies and charges are extracted from the Atom objects using the commands …
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Hi,
I created a custom preset that displays a polymer, ligand, and surroundings. This is the query I am using for the surroundings:
```typescript
export const ligandPlusSurroundings = Structur…
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I've been thinking about a plugin to compute forces with [xtb](https://github.com/grimme-lab/xtb). This would be useful both for the GFN-FF force field and for the GFN2-xTB semiempirical method. It …
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Refers to the JOSS submission review: https://github.com/openjournals/joss-reviews/issues/5763
The paper is missing one or two sentences on how the features are computed:
- partial charges: Gast…
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From https://github.com/phetsims/chipper/issues/1415 and related to https://github.com/phetsims/chipper/issues/1425, @zepumph and I are interested in running lint via `npx eslint`. This is described i…