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Fixing aISS distance constrain fix
CI #1740: Pull request #1194 opened by cplett
February 12, 2025 13:21 8m 10s 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
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
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
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
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
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
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
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
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
February 12, 2025 09:02 8m 26s
Update OpenMP parallelization in WSC to avoid data-races
CI #1730: Pull request #1191 synchronize by foxtran
February 12, 2025 09:01 8m 15s foxtran:fix/datarace-wsc
February 12, 2025 09:01 8m 15s
Update model_hessian.f90
CI #1729: Pull request #1177 synchronize by foxtran
February 12, 2025 08:26 8m 7s foxtran:update/model_hessian
February 12, 2025 08:26 8m 7s
Fix L-BFGS memory accesses
CI #1728: Pull request #1171 synchronize by foxtran
February 12, 2025 08:20 7m 52s foxtran:fix/l-bfgs-memory-access
February 12, 2025 08:20 7m 52s
Enable CMake Debug builds
CI #1727: Pull request #1184 synchronize by foxtran
February 12, 2025 08:19 8m 2s foxtran:check/CI
February 12, 2025 08:19 8m 2s
Fix xtb/docking test (#1173)
CI #1726: Commit 8066e56 pushed by Albkat
February 12, 2025 08:14 11m 21s main
February 12, 2025 08:14 11m 21s
Fix L-BFGS memory accesses
CI #1725: Pull request #1171 synchronize by foxtran
February 12, 2025 08:12 8m 21s foxtran:fix/l-bfgs-memory-access
February 12, 2025 08:12 8m 21s
Fix hessian with fixed atoms (#1175)
CI #1724: Commit ca631a3 pushed by marvinfriede
February 12, 2025 07:23 8m 31s main
February 12, 2025 07:23 8m 31s
Close Stale
Close Stale #519: Scheduled
February 12, 2025 00:17 1s main
February 12, 2025 00:17 1s
Update OpenMP parallelization in WSC to avoid data-races
CI #1723: Pull request #1191 synchronize by foxtran
February 11, 2025 22:01 12m 59s foxtran:fix/datarace-wsc
February 11, 2025 22:01 12m 59s
Fix xtb/docking test
CI #1722: Pull request #1173 synchronize by foxtran
February 11, 2025 22:01 9m 56s foxtran:fix/docking-test
February 11, 2025 22:01 9m 56s
Fix L-BFGS memory accesses
CI #1721: Pull request #1171 synchronize by foxtran
February 11, 2025 22:00 8m 20s foxtran:fix/l-bfgs-memory-access
February 11, 2025 22:00 8m 20s
Avoid division by zero in disp module (#1190)
CI #1720: Commit 8631a45 pushed by marvinfriede
February 11, 2025 20:49 8m 26s main
February 11, 2025 20:49 8m 26s
Update OpenMP parallelization in WSC to avoid data-races
CI #1719: Pull request #1191 synchronize by foxtran
February 11, 2025 14:30 8m 2s foxtran:fix/datarace-wsc
February 11, 2025 14:30 8m 2s
Update OpenMP parallelization in WSC to avoid data-races
CI #1718: Pull request #1191 synchronize by foxtran
February 11, 2025 14:27 4m 26s foxtran:fix/datarace-wsc
February 11, 2025 14:27 4m 26s