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Avoid division by zero in disp module CI #1705: Pull request #1190 synchronize by foxtran
February 10, 2025 23:00 8m 28s foxtran:fix/div_by_zero_in_disp
foxtran:fix/div_by_zero_in_disp
February 10, 2025 23:00 8m 28s
Avoid division by zero in disp module CI #1704: Pull request #1190 opened by foxtran
February 10, 2025 22:51 7m 6s foxtran:fix/div_by_zero_in_disp
foxtran:fix/div_by_zero_in_disp
February 10, 2025 22:51 7m 6s
Initialize some variables for xtb/iff test CI #1703: Pull request #1189 synchronize by foxtran
February 10, 2025 22:41 7m 59s foxtran:fix/uninitialized
foxtran:fix/uninitialized
February 10, 2025 22:41 7m 59s
Initialize some variables for xtb/iff test CI #1702: Pull request #1189 opened by foxtran
February 10, 2025 22:41 7m 50s foxtran:fix/uninitialized
foxtran:fix/uninitialized
February 10, 2025 22:41 7m 50s
Fix xtb/docking test CI #1701: Pull request #1173 synchronize by foxtran
February 10, 2025 22:11 8m 41s foxtran:fix/docking-test
foxtran:fix/docking-test
February 10, 2025 22:11 8m 41s
Fix xtb/docking test CI #1700: Pull request #1173 synchronize by foxtran
February 10, 2025 22:09 7m 57s foxtran:fix/docking-test
foxtran:fix/docking-test
February 10, 2025 22:09 7m 57s
Fix xtb/docking test CI #1699: Pull request #1173 synchronize by foxtran
February 10, 2025 22:03 7m 52s foxtran:fix/docking-test
foxtran:fix/docking-test
February 10, 2025 22:03 7m 52s
Fix xtb/docking test CI #1698: Pull request #1173 synchronize by foxtran
February 10, 2025 22:00 8m 11s foxtran:fix/docking-test
foxtran:fix/docking-test
February 10, 2025 22:00 8m 11s
Speed-up hot path of GFN2 geometry optimization CI #1697: Pull request #1178 synchronize by foxtran
February 10, 2025 21:25 7m 38s foxtran:feature/speedup-gfn2
foxtran:feature/speedup-gfn2
February 10, 2025 21:25 7m 38s
Fix division by zero at geoopt (#1170) CI #1696: Commit 40c757e pushed by Albkat
February 10, 2025 21:23 8m 34s main
main
February 10, 2025 21:23 8m 34s
Fix division by zero at geoopt CI #1695: Pull request #1170 synchronize by foxtran
February 10, 2025 21:04 11m 22s foxtran:fix/div_by_zero_at_geoopt
foxtran:fix/div_by_zero_at_geoopt
February 10, 2025 21:04 11m 22s
Fix division by zero at geoopt CI #1694: Pull request #1170 synchronize by foxtran
February 10, 2025 21:03 8m 3s foxtran:fix/div_by_zero_at_geoopt
foxtran:fix/div_by_zero_at_geoopt
February 10, 2025 21:03 8m 3s
Fix exit condition in calc_distances (#1168) CI #1693: Commit 945d7e6 pushed by Albkat
February 10, 2025 21:01 8m 26s main
main
February 10, 2025 21:01 8m 26s
Fix xtb/docking test CI #1692: Pull request #1173 synchronize by foxtran
February 10, 2025 20:45 12m 16s foxtran:fix/docking-test
foxtran:fix/docking-test
February 10, 2025 20:45 12m 16s
Fix exit condition in calc_distances CI #1691: Pull request #1168 synchronize by foxtran
February 10, 2025 14:50 9m 10s foxtran:patch-1
foxtran:patch-1
February 10, 2025 14:50 9m 10s
clarify units of the Hessian matrix (#1188) CI #1690: Commit 3bb036e pushed by marcelmbn
February 9, 2025 11:40 32s main
main
February 9, 2025 11:40 32s
Clarify units of the Hessian matrix CI #1689: Pull request #1188 opened by marcelmbn
February 8, 2025 20:16 8m 20s marcelmbn:doc/hessian_units
marcelmbn:doc/hessian_units
February 8, 2025 20:16 8m 20s
Provide updated .xtbrc (#1180) CI #1688: Commit ef197a9 pushed by marvinfriede
February 7, 2025 22:25 2m 44s main
main
February 7, 2025 22:25 2m 44s
fix isotope hessian by shifting initialization with physical values t… CI #1687: Commit 7ef22f6 pushed by marvinfriede
February 7, 2025 22:24 8m 35s main
main
February 7, 2025 22:24 8m 35s
Provide updated .xtbrc CI #1686: Pull request #1180 synchronize by marvinfriede
February 7, 2025 19:00 7m 55s foxtran:fix/xtbrc
foxtran:fix/xtbrc
February 7, 2025 19:00 7m 55s
Provide updated .xtbrc CI #1685: Pull request #1180 synchronize by marvinfriede
February 7, 2025 19:00 7m 47s foxtran:fix/xtbrc
foxtran:fix/xtbrc
February 7, 2025 19:00 7m 47s
Fix isotope hessian CI #1684: Pull request #1176 synchronize by marvinfriede
February 7, 2025 18:56 8m 6s marcelmbn:fix/isotope_hessian
marcelmbn:fix/isotope_hessian
February 7, 2025 18:56 8m 6s
Provide updated .xtbrc CI #1683: Pull request #1180 synchronize by marvinfriede
February 7, 2025 16:08 11m 45s foxtran:fix/xtbrc
foxtran:fix/xtbrc
February 7, 2025 16:08 11m 45s
Avoid integer overflow in main/geometry.f90 (#1186) CI #1682: Commit 12fcd37 pushed by marvinfriede
February 7, 2025 14:06 10m 1s main
main
February 7, 2025 14:06 10m 1s
Clarified the aISS output (#1187) CI #1681: Commit ac81ef4 pushed by marvinfriede
February 7, 2025 10:37 8m 8s main
main
February 7, 2025 10:37 8m 8s