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Fix issue #506 Pull-Request #453: Pull request #507 opened by lohedges
2h 25m 54s fix_506
fix_506
2h 25m 54s
Fix issue #503 Pull-Request #452: Pull request #504 synchronize by lohedges
1h 31m 24s fix_503
fix_503
1h 31m 24s
Fix issue #500 Pull-Request #450: Pull request #501 opened by lohedges
1h 48m 59s fix_500
fix_500
1h 48m 59s
Add explicit PME parameter options and automatic PME tuning Pull-Request #449: Pull request #499 opened by lohedges
2h 28m 35s feature_pme_parameters
feature_pme_parameters
2h 28m 35s
Fix issue #496 Pull-Request #448: Pull request #497 opened by lohedges
1h 50m 30s fix_496
fix_496
1h 50m 30s
Update to gemmi 0.7 and re-enable the SireGemmi converter Pull-Request #447: Pull request #494 synchronize by lohedges
2h 14m 40s fix_gemmi
fix_gemmi
2h 14m 40s
Fix QM/MM link atom force projection Pull-Request #445: Pull request #492 opened by lohedges
2h 9m 1s fix_link_atoms
fix_link_atoms
2h 9m 1s
Add check_boresch_search() to validate the ligand before a search trajectory Pull-Request #444: Pull request #490 opened by lohedges
2h 15m 16s fix_somd2_222
fix_somd2_222
2h 15m 16s
Fix issue #487 Pull-Request #443: Pull request #488 synchronize by lohedges
2h 14m 5s fix_487
fix_487
2h 14m 5s
Fix issue #487 Pull-Request #442: Pull request #488 synchronize by lohedges
2h 19m 42s fix_487
fix_487
2h 19m 42s
Fix issue #487 Pull-Request #440: Pull request #488 synchronize by lohedges
2h 7m 23s fix_487
fix_487
2h 7m 23s
Fix issue #487 Pull-Request #439: Pull request #488 synchronize by lohedges
2h 11m 34s fix_487
fix_487
2h 11m 34s
Fix issue #487 Pull-Request #438: Pull request #488 opened by lohedges
2h 6m 53s fix_487
fix_487
2h 6m 53s
Fix issue #483 Pull-Request #437: Pull request #484 opened by lohedges
1h 36m 35s fix_483
fix_483
1h 36m 35s
Release 2026.2.0 Pull-Request #436: Pull request #482 opened by lohedges
2h 12m 16s release_2026.2.0
release_2026.2.0
2h 12m 16s
Release the GIL for the duration of LambdaLever::setLambda. Pull-Request #435: Pull request #481 opened by lohedges
1h 8m 0s feature_scoped_gil_release
feature_scoped_gil_release
1h 8m 0s
Fix issue #478 Pull-Request #434: Pull request #479 opened by lohedges
1h 43m 52s fix_478
fix_478
1h 43m 52s
Fix issue #475 Pull-Request #433: Pull request #476 opened by lohedges
1h 42m 1s fix_475
fix_475
1h 42m 1s
Fix issue #472 Pull-Request #432: Pull request #473 opened by lohedges
2h 9m 27s fix_472
fix_472
2h 9m 27s
Fix issue #469 Pull-Request #431: Pull request #470 synchronize by lohedges
2h 8m 5s fix_469
fix_469
2h 8m 5s
Fix issues with multi-molecule REST2 selections Pull-Request #428: Pull request #467 synchronize by lohedges
2h 6m 48s fix_somd2_197
fix_somd2_197
2h 6m 48s
Fix issues with multi-molecule REST2 selections Pull-Request #427: Pull request #467 opened by lohedges
29m 51s fix_somd2_197
fix_somd2_197
29m 51s
Add determine_bond_orders kwarg to Sire-RDKit conversion function. Pull-Request #426: Pull request #465 opened by lohedges
2h 10m 43s fix_464
fix_464
2h 10m 43s
Fix issue #457 Pull-Request #425: Pull request #461 synchronize by lohedges
2h 15m 9s fix_457
fix_457
2h 15m 9s
Fix issue #457 Pull-Request #424: Pull request #461 opened by lohedges
2h 7m 18s fix_457
fix_457
2h 7m 18s