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Pull requests: MolarVerse/PQ

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Pull requests list

ci: fix release and sync PR automation release workflow Issues in the workflow
#476 opened Aug 7, 2026 by galjos Member Loading…
Merge qmmm-dev into dev
#475 opened Aug 7, 2026 by 97gamjak Collaborator Loading…
7
fix: port external QM safeguards to qmmm-dev bug Something isn't working
#453 opened Aug 5, 2026 by galjos Member Loading…
1
Cleanup type aliases cleanup
#452 opened Aug 5, 2026 by 97gamjak Collaborator Loading…
2
Clangd cleanup cleanup
#450 opened Aug 4, 2026 by 97gamjak Collaborator Loading…
2
fix: throw exception when external QM runner fails bug Something isn't working enhance feature
#443 opened Aug 4, 2026 by ape33 Member Loading…
1
4
feat: add QM force distribution methods for QM/MM hotspot smoothing enhance feature
#411 opened Jul 31, 2026 by ape33 Member Loading…
1
9
Harden external-QM execution
#384 opened Jul 28, 2026 by galjos Member Loading…
3
fix: complete partial temperature ramps
#351 opened Jul 28, 2026 by galjos Member Loading…
5
fix: handle zero-temperature rescaling
#350 opened Jul 28, 2026 by galjos Member Loading…
4
fix: validate cell-list dimensions
#348 opened Jul 28, 2026 by galjos Member Loading…
4
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