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Pull requests: MolarVerse/PQ

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Pull requests list

feat: implement virial type handling and update related methods bug Something isn't working
#451 opened Aug 4, 2026 by 97gamjak Collaborator Loading…
2
Clangd cleanup cleanup
#450 opened Aug 4, 2026 by 97gamjak Collaborator Loading…
2
feat: write hybrid setup info to .log file enhance feature
#447 opened Aug 4, 2026 by ape33 Member Loading…
1
1
fix: set default smoothing_method to hotspot bug Something isn't working
#445 opened Aug 4, 2026 by ape33 Member Loading…
1
1
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
Cleanup type aliases cleanup
#440 opened Aug 3, 2026 by 97gamjak Collaborator Loading…
2
fix: issue #412 hotspot smoothing MM forces between SM mol and CORE mol to be only coulomb bug Something isn't working
#413 opened Jul 31, 2026 by ape33 Member Loading…
1
5
feat: add QM force distribution methods for QM/MM hotspot smoothing enhance feature
#411 opened Jul 31, 2026 by ape33 Member Loading…
1
9
tests: add integration tests for QM/MM testing
#410 opened Jul 30, 2026 by ape33 Member Loading…
2
5
Harden external-QM execution
#384 opened Jul 28, 2026 by galjos Member • Draft
3
Install PQ runtime assets relocatably
#382 opened Jul 28, 2026 by galjos Member Loading…
10
fix: complete partial temperature ramps
#351 opened Jul 28, 2026 by galjos Member Loading…
3
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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