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Pull requests: metatensor/metatomic

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Pull requests list

Add heat flux as a standard output, also add momentum and velocity as outputs of i-pi
#178 opened Mar 12, 2026 by GardevoirX Loading…
1 of 4 tasks
Split ase integration into a separate metatomic-ase package
#177 opened Mar 10, 2026 by Luthaf Loading…
3 of 6 tasks
3
Fix a bug in converting units for List[System]
#174 opened Mar 5, 2026 by GardevoirX Loading…
1 of 4 tasks
1
feat(units): add an expression parser
#173 opened Mar 4, 2026 by HaoZeke Loading…
4 tasks done
1
57
Run CI on Python 3.14
#170 opened Feb 27, 2026 by Luthaf Loading…
1 of 4 tasks
Added sample_kind to ModelOutput, without breaking changes
#168 opened Feb 26, 2026 by pfebrer Loading…
20
feat(docs): add complete C++ API reference
#148 opened Feb 2, 2026 by HaoZeke • Draft
4 tasks
4
Add a heat flux wrapper
#144 opened Jan 26, 2026 by GardevoirX Loading…
7 of 9 tasks
1
40
Add GROMACS simulation engine
#130 opened Dec 10, 2025 by PicoCentauri • Draft
1 of 2 tasks
7
Add SymmetrizedModel
#119 opened Nov 18, 2025 by ppegolo • Draft
4 tasks
doc(euncertainty): Correct note
#117 opened Nov 14, 2025 by HaoZeke • Draft
4 tasks
4
ProTip! Updated in the last three days: updated:>2026-03-14.