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PTB and Fukui Close Stale #620: Issue #1226 labeled by marvinfriede
March 24, 2025 07:53 1s
March 24, 2025 07:53 1s
Close Stale Close Stale #619: Scheduled
March 24, 2025 00:20 1s main
main
March 24, 2025 00:20 1s
Close Stale Close Stale #618: Scheduled
March 23, 2025 00:20 1s main
main
March 23, 2025 00:20 1s
Close Stale Close Stale #617: Scheduled
March 22, 2025 00:18 1s main
main
March 22, 2025 00:18 1s
Close Stale Close Stale #616: Scheduled
March 21, 2025 00:19 1s main
main
March 21, 2025 00:19 1s
Issue with GFN-FF MD in organic solvents Close Stale #615: Issue #974 labeled by marvinfriede
March 20, 2025 12:17 1s
March 20, 2025 12:17 1s
Failing Geometry optimization with fixed atoms using the GFN-FF Close Stale #614: Issue #800 labeled by marvinfriede
March 20, 2025 12:14 1s
March 20, 2025 12:14 1s
MD run ends in SIGSEGV in xtb_topology_mp_ Close Stale #613: Issue #837 labeled by marvinfriede
March 20, 2025 12:13 12s
March 20, 2025 12:13 12s
Manually remove intermolecular bonds in GFN-FF topol Close Stale #612: Issue #859 labeled by marvinfriede
March 20, 2025 12:03 1s
March 20, 2025 12:03 1s
Manually remove intermolecular bonds in GFN-FF topol Close Stale #611: Issue #859 labeled by marvinfriede
March 20, 2025 12:03 1s
March 20, 2025 12:03 1s
GFN0 sporadically segfaults before printing setup info Close Stale #610: Issue #865 labeled by marvinfriede
March 20, 2025 12:02 1s
March 20, 2025 12:02 1s
GFN-FF parameters documentation Close Stale #609: Issue #871 labeled by marvinfriede
March 20, 2025 11:59 1s
March 20, 2025 11:59 1s
ALPB solvation model with salt screening. Close Stale #608: Issue #499 labeled by marvinfriede
March 20, 2025 11:45 1s
March 20, 2025 11:45 1s
SPH with DFT Close Stale #607: Issue #682 labeled by marvinfriede
March 20, 2025 11:43 2s
March 20, 2025 11:43 2s
SPH with DFT Close Stale #606: Issue #682 labeled by marvinfriede
March 20, 2025 11:43 13s
March 20, 2025 11:43 13s
Use user-provided nb list to update nbm and nbf in GFN-FF (#1218) CI #1845: Commit 41059b4 pushed by Thomas3R
March 20, 2025 10:51 8m 26s main
main
March 20, 2025 10:51 8m 26s
GFN0 malloc error for dihydrogen Close Stale #605: Issue #670 labeled by marvinfriede
March 20, 2025 10:26 14s
March 20, 2025 10:26 14s
GFN0 malloc error for dihydrogen Close Stale #604: Issue #670 labeled by marvinfriede
March 20, 2025 10:25 2s
March 20, 2025 10:25 2s
GFN0 sporadically segfaults before printing setup info Close Stale #603: Issue #865 labeled by marvinfriede
March 20, 2025 10:24 2s
March 20, 2025 10:24 2s
Nucleic acids and MD Close Stale #602: Issue #766 labeled by marvinfriede
March 20, 2025 10:19 11s
March 20, 2025 10:19 11s
Nucleic acids and MD Close Stale #601: Issue #766 labeled by marvinfriede
March 20, 2025 10:19 1s
March 20, 2025 10:19 1s
Fix for #1185 (#1219) CI #1844: Commit abcf8e0 pushed by lukaswittmann
March 20, 2025 09:18 8m 19s main
main
March 20, 2025 09:18 8m 19s
Fix the dependencies on their newest version for meson and cmake (#1215) CI #1843: Commit 4e35257 pushed by thfroitzheim
March 20, 2025 08:29 8m 36s main
main
March 20, 2025 08:29 8m 36s
Close Stale Close Stale #600: Scheduled
March 20, 2025 00:18 Skipped main
main
March 20, 2025 00:18 Skipped
Add explanation for translation entropy constants (#1077) CI #1842: Commit 8165e41 pushed by marcelmbn
March 19, 2025 09:08 4m 6s main
main
March 19, 2025 09:08 4m 6s