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fortran-build.yml
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Provide updated .xtbrc CI #1665: Pull request #1180 opened by foxtran
February 5, 2025 19:47 8m 12s foxtran:fix/xtbrc
foxtran:fix/xtbrc
February 5, 2025 19:47 8m 12s
Enable hyphen separated range of atoms to modify mass CI #1664: Pull request #1179 opened by marcelmbn
February 5, 2025 19:29 3m 43s marcelmbn:feat/atomlist_for_mass_scaling
marcelmbn:feat/atomlist_for_mass_scaling
February 5, 2025 19:29 3m 43s
Speed-up hot path of GFN2 geometry optimization CI #1663: Pull request #1178 synchronize by foxtran
February 5, 2025 17:08 6m 50s foxtran:feature/speedup-gfn2
foxtran:feature/speedup-gfn2
February 5, 2025 17:08 6m 50s
Speed-up hot path of GFN2 geometry optimization CI #1662: Pull request #1178 opened by foxtran
February 5, 2025 16:48 6m 55s foxtran:feature/speedup-gfn2
foxtran:feature/speedup-gfn2
February 5, 2025 16:48 6m 55s
Update model_hessian.f90 CI #1661: Pull request #1177 synchronize by foxtran
February 5, 2025 15:16 12m 11s foxtran:update/model_hessian
foxtran:update/model_hessian
February 5, 2025 15:16 12m 11s
Update model_hessian.f90 CI #1660: Pull request #1177 synchronize by foxtran
February 5, 2025 15:14 7m 54s foxtran:update/model_hessian
foxtran:update/model_hessian
February 5, 2025 15:14 7m 54s
Update model_hessian.f90 CI #1659: Pull request #1177 opened by foxtran
February 5, 2025 15:14 8m 1s foxtran:update/model_hessian
foxtran:update/model_hessian
February 5, 2025 15:14 8m 1s
Fix exit condition in calc_distances CI #1658: Pull request #1168 synchronize by foxtran
February 5, 2025 09:50 8m 4s foxtran:patch-1
foxtran:patch-1
February 5, 2025 09:50 8m 4s
CEH gradients (#1153) CI #1657: Commit e8cac25 pushed by Albkat
February 5, 2025 08:49 8m 21s main
main
February 5, 2025 08:49 8m 21s
Better support for finding custom lapack implementaion (#1133) CI #1656: Commit 9435410 pushed by Albkat
February 5, 2025 08:40 9m 1s main
main
February 5, 2025 08:40 9m 1s
Better support for finding custom lapack implementaion CI #1655: Pull request #1133 synchronize by Albkat
February 5, 2025 08:24 7m 47s awvwgk:custom-lib
awvwgk:custom-lib
February 5, 2025 08:24 7m 47s
Fix isotope hessian CI #1654: Pull request #1176 opened by marcelmbn
February 5, 2025 08:15 9m 1s marcelmbn:fix/isotope_hessian
marcelmbn:fix/isotope_hessian
February 5, 2025 08:15 9m 1s
CEH gradients CI #1653: Pull request #1153 synchronize by Albkat
February 5, 2025 07:31 3m 43s Albkat:ceh_numgrad
Albkat:ceh_numgrad
February 5, 2025 07:31 3m 43s
Add explanation for translation entropy constants CI #1652: Pull request #1077 synchronize by awvwgk
February 5, 2025 07:20 27m 56s TyBalduf:constants
TyBalduf:constants
February 5, 2025 07:20 27m 56s
Better support for finding custom lapack implementaion CI #1651: Pull request #1133 synchronize by awvwgk
February 5, 2025 07:20 23m 33s awvwgk:custom-lib
awvwgk:custom-lib
February 5, 2025 07:20 23m 33s
Solvent aliases CI #1650: Pull request #1160 synchronize by awvwgk
February 5, 2025 07:19 26m 0s TyBalduf:solvent-aliases
TyBalduf:solvent-aliases
February 5, 2025 07:19 26m 0s
Fix exit condition in calc_distances CI #1649: Pull request #1168 synchronize by awvwgk
February 5, 2025 07:19 23m 47s foxtran:patch-1
foxtran:patch-1
February 5, 2025 07:19 23m 47s
Fix division by zero at geoopt CI #1648: Pull request #1170 synchronize by awvwgk
February 5, 2025 07:18 21m 26s foxtran:fix/div_by_zero_at_geoopt
foxtran:fix/div_by_zero_at_geoopt
February 5, 2025 07:18 21m 26s
Fix L-BFGS memory accesses CI #1647: Pull request #1171 synchronize by awvwgk
February 5, 2025 07:18 20m 4s foxtran:fix/l-bfgs-memory-access
foxtran:fix/l-bfgs-memory-access
February 5, 2025 07:18 20m 4s
Accept any length symbols' strings CI #1646: Pull request #1172 synchronize by awvwgk
February 5, 2025 07:18 17m 18s foxtran:patch-3
foxtran:patch-3
February 5, 2025 07:18 17m 18s
Fix hessian with fixed atoms CI #1645: Pull request #1175 synchronize by awvwgk
February 5, 2025 07:18 14m 38s foxtran:fix/fix-hessian
foxtran:fix/fix-hessian
February 5, 2025 07:18 14m 38s
Fix xtb/docking test CI #1644: Pull request #1173 synchronize by awvwgk
February 5, 2025 07:18 9m 51s foxtran:fix/docking-test
foxtran:fix/docking-test
February 5, 2025 07:18 9m 51s
Fix ubuntu-latest CI and introduce Arm validation (#1165) CI #1643: Commit ee06475 pushed by awvwgk
February 5, 2025 07:17 25m 32s main
main
February 5, 2025 07:17 25m 32s
Fix multiple open of xtbscreen.xyz in local.f90 (xtb/iff test) (#1167) CI #1642: Commit 636caec pushed by marvinfriede
February 4, 2025 21:58 8m 13s main
main
February 4, 2025 21:58 8m 13s
Fix double print of ancopt header (#1166) CI #1641: Commit 3ffabb3 pushed by marvinfriede
February 4, 2025 21:49 8m 57s main
main
February 4, 2025 21:49 8m 57s