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Fix flicking xtb/gfnff test
CI #1769: Pull request #1204 synchronize by foxtran
February 28, 2025 07:18 13m 24s foxtran:fix/gfnff-flicking
February 28, 2025 07:18 13m 24s
Fix flicking xtb/gfnff test
CI #1768: Pull request #1204 synchronize by foxtran
February 28, 2025 07:18 8m 10s foxtran:fix/gfnff-flicking
February 28, 2025 07:18 8m 10s
Close Stale
Close Stale #540: Scheduled
February 28, 2025 00:18 2s main
February 28, 2025 00:18 2s
Questions about xtb-python and xtb
Close Stale #539: Issue #1199 labeled by marvinfriede
February 27, 2025 06:46 2s
February 27, 2025 06:46 2s
Increase threshold for lowest frequencies
CI #1767: Pull request #1205 opened by foxtran
February 27, 2025 00:52 8m 2s foxtran:fix/1203
February 27, 2025 00:52 8m 2s
Fix flicking xtb/gfnff test
CI #1766: Pull request #1204 opened by foxtran
February 27, 2025 00:36 7m 40s foxtran:fix/gfnff-flicking
February 27, 2025 00:36 7m 40s
Close Stale
Close Stale #538: Scheduled
February 27, 2025 00:18 1s main
February 27, 2025 00:18 1s
Enable CMake Debug builds (#1184)
CI #1765: Commit a6eb672 pushed by marvinfriede
February 26, 2025 20:49 8m 21s main
February 26, 2025 20:49 8m 21s
Segmentation fault for scan / constrained optimization for diatomic molecules
Close Stale #537: Issue #1203 labeled by longdragoon
February 26, 2025 19:14 2s
February 26, 2025 19:14 2s
Enable CMake Debug builds
CI #1764: Pull request #1184 synchronize by foxtran
February 26, 2025 17:35 10m 13s foxtran:check/CI
February 26, 2025 17:35 10m 13s
Add solvent aliases (#1160)
CI #1763: Commit 019937e pushed by marvinfriede
February 26, 2025 15:28 8m 29s main
February 26, 2025 15:28 8m 29s
Avoid zero division in GFNFF (#1202)
CI #1762: Commit 0066025 pushed by Albkat
February 26, 2025 14:18 8m 53s main
February 26, 2025 14:18 8m 53s
Avoid zero division in GFNFF
CI #1761: Pull request #1202 opened by marvinfriede
February 26, 2025 11:46 9m 17s marvinfriede-patch-1
February 26, 2025 11:46 9m 17s
Avoid zero division in GFNFF
CI #1760: Commit 7e1b92d pushed by marvinfriede
February 26, 2025 11:45 8m 36s marvinfriede-patch-1
February 26, 2025 11:45 8m 36s
Close Stale
Close Stale #536: Scheduled
February 26, 2025 00:18 2s main
February 26, 2025 00:18 2s
Enable CMake Debug builds
CI #1758: Pull request #1184 synchronize by foxtran
February 25, 2025 22:57 11m 14s foxtran:check/CI
February 25, 2025 22:57 11m 14s
Enable CMake Debug builds
CI #1757: Pull request #1184 synchronize by foxtran
February 25, 2025 22:57 7m 48s foxtran:check/CI
February 25, 2025 22:57 7m 48s
Speed-up hot path of GFN2 geometry optimization
CI #1756: Pull request #1178 synchronize by foxtran
February 25, 2025 22:47 10m 5s foxtran:feature/speedup-gfn2
February 25, 2025 22:47 10m 5s
Close Stale
Close Stale #535: Scheduled
February 25, 2025 00:18 2s main
February 25, 2025 00:18 2s
Close Stale
Close Stale #534: Scheduled
February 24, 2025 00:18 2s main
February 24, 2025 00:18 2s
Close Stale
Close Stale #533: Scheduled
February 23, 2025 00:19 1s main
February 23, 2025 00:19 1s
Close Stale
Close Stale #532: Scheduled
February 22, 2025 00:17 3s main
February 22, 2025 00:17 3s
Close Stale
Close Stale #531: Scheduled
February 21, 2025 00:18 2s main
February 21, 2025 00:18 2s
Possibility to skip geo opt with aISS (#1198)
CI #1755: Commit 76c1f5a pushed by cplett
February 20, 2025 15:45 9m 19s main
February 20, 2025 15:45 9m 19s