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Possibility to skip geo opt with aISS (#1198) CI #1755: Commit 76c1f5a pushed by cplett
February 20, 2025 15:45 9m 19s main
main
February 20, 2025 15:45 9m 19s
Possibility to skip the geometry optimizations during aISS docking CI #1754: Pull request #1198 synchronize by cplett
February 20, 2025 12:51 4m 31s cplett:main
cplett:main
February 20, 2025 12:51 4m 31s
Update model_hessian.f90 (#1177) CI #1753: Commit 65e9c14 pushed by marvinfriede
February 19, 2025 14:43 9m 5s main
main
February 19, 2025 14:43 9m 5s
Possibility to skip the geometry optimizations during aISS docking CI #1752: Pull request #1198 opened by cplett
February 19, 2025 12:55 8m 12s cplett:main
cplett:main
February 19, 2025 12:55 8m 12s
Speed-up hot path of GFN2 geometry optimization CI #1751: Pull request #1178 synchronize by foxtran
February 18, 2025 15:51 8m 36s foxtran:feature/speedup-gfn2
foxtran:feature/speedup-gfn2
February 18, 2025 15:51 8m 36s
Remove unused get_realspace_cutoff call (#1196) CI #1750: Commit c07df7a pushed by marvinfriede
February 15, 2025 07:50 8m 3s main
main
February 15, 2025 07:50 8m 3s
Avoid 0-indexed access in search_nci.f90 (#1192) CI #1749: Commit b28fbff pushed by marvinfriede
February 14, 2025 22:03 8m 31s main
main
February 14, 2025 22:03 8m 31s
Avoid division by zero in xtb/gfn0 and xtb/GFN0-xTB tests CI #1748: Pull request #1196 opened by foxtran
February 13, 2025 09:10 8m 54s foxtran:fix/gfn0
foxtran:fix/gfn0
February 13, 2025 09:10 8m 54s
Enable CMake Debug builds CI #1747: Pull request #1184 synchronize by foxtran
February 13, 2025 08:37 9m 49s foxtran:check/CI
foxtran:check/CI
February 13, 2025 08:37 9m 49s
Speed-up hot path of GFN2 geometry optimization CI #1746: Pull request #1178 synchronize by foxtran
February 13, 2025 08:36 7m 58s foxtran:feature/speedup-gfn2
foxtran:feature/speedup-gfn2
February 13, 2025 08:36 7m 58s
Update OpenMP parallelization in WSC to avoid data-races (#1191) CI #1745: Commit 8964b4f pushed by marvinfriede
February 13, 2025 08:34 8m 55s main
main
February 13, 2025 08:34 8m 55s
Update OpenMP parallelization in WSC to avoid data-races CI #1744: Pull request #1191 synchronize by foxtran
February 13, 2025 08:23 8m 20s foxtran:fix/datarace-wsc
foxtran:fix/datarace-wsc
February 13, 2025 08:23 8m 20s
Update OpenMP parallelization in WSC to avoid data-races CI #1743: Pull request #1191 synchronize by foxtran
February 13, 2025 08:21 9m 29s foxtran:fix/datarace-wsc
foxtran:fix/datarace-wsc
February 13, 2025 08:21 9m 29s
Avoid 0-indexed access in search_nci.f90 CI #1742: Pull request #1192 synchronize by foxtran
February 12, 2025 21:46 9m 2s foxtran:fix/search_nci
foxtran:fix/search_nci
February 12, 2025 21:46 9m 2s
Fixing aISS distance constrain fix (#1194) CI #1741: Commit 3ae3b55 pushed by cplett
February 12, 2025 14:18 4m 13s main
main
February 12, 2025 14:18 4m 13s
Fixing aISS distance constrain fix CI #1740: Pull request #1194 opened by cplett
February 12, 2025 13:21 8m 10s cplett:aISS_fix
cplett:aISS_fix
February 12, 2025 13:21 8m 10s
Update OpenMP parallelization in WSC to avoid data-races CI #1739: Pull request #1191 synchronize by foxtran
February 12, 2025 11:55 8m 34s foxtran:fix/datarace-wsc
foxtran:fix/datarace-wsc
February 12, 2025 11:55 8m 34s
Fix L-BFGS memory accesses (#1171) CI #1738: Commit c2f74e1 pushed by marvinfriede
February 12, 2025 11:52 10m 40s main
main
February 12, 2025 11:52 10m 40s
Accept any length symbols' strings CI #1737: Pull request #1172 synchronize by foxtran
February 12, 2025 10:53 12m 26s foxtran:patch-3
foxtran:patch-3
February 12, 2025 10:53 12m 26s
Remove symbol length variable CI #1736: Pull request #1193 opened by foxtran
February 12, 2025 10:52 7m 56s foxtran:remove/symbolLength
foxtran:remove/symbolLength
February 12, 2025 10:52 7m 56s
Accept any length symbols' strings CI #1735: Pull request #1172 synchronize by foxtran
February 12, 2025 10:03 3m 28s foxtran:patch-3
foxtran:patch-3
February 12, 2025 10:03 3m 28s
Accept any length symbols' strings CI #1734: Pull request #1172 synchronize by foxtran
February 12, 2025 09:58 3m 25s foxtran:patch-3
foxtran:patch-3
February 12, 2025 09:58 3m 25s
Avoid 0-indexed access in search_nci.f90 CI #1733: Pull request #1192 synchronize by foxtran
February 12, 2025 09:47 7m 48s foxtran:fix/search_nci
foxtran:fix/search_nci
February 12, 2025 09:47 7m 48s
Avoid 0-indexed access in search_nci.f90 CI #1732: Pull request #1192 opened by foxtran
February 12, 2025 09:42 7m 58s foxtran:fix/search_nci
foxtran:fix/search_nci
February 12, 2025 09:42 7m 58s
Update OpenMP parallelization in WSC to avoid data-races CI #1731: Pull request #1191 synchronize by foxtran
February 12, 2025 09:02 8m 26s foxtran:fix/datarace-wsc
foxtran:fix/datarace-wsc
February 12, 2025 09:02 8m 26s