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remove timing printout for --ohess flag (#958) CI #1415: Commit 25d87c3 pushed by Albkat
January 31, 2024 08:42 8m 1s main
main
January 31, 2024 08:42 8m 1s
remove timing printout for --ohess flag CI #1414: Pull request #958 opened by Albkat
January 30, 2024 15:19 7m 53s Albkat:main
Albkat:main
January 30, 2024 15:19 7m 53s
aISS docking update for next QCG version CI #1413: Pull request #956 opened by cplett
January 26, 2024 13:36 5m 13s cplett:aISS_update
cplett:aISS_update
January 26, 2024 13:36 5m 13s
constrain all atoms (#928) CI #1412: Commit 803bc69 pushed by Albkat
January 25, 2024 09:11 8m 8s main
main
January 25, 2024 09:11 8m 8s
refactor geometry optimization (part 1) (#947) CI #1411: Commit 10de8e0 pushed by Albkat
January 24, 2024 07:36 5m 13s main
main
January 24, 2024 07:36 5m 13s
add description of xtbtopo.mol (#951) CI #1410: Commit cec1c66 pushed by Albkat
January 24, 2024 07:34 5m 10s main
main
January 24, 2024 07:34 5m 10s
constrain all atoms CI #1409: Pull request #928 synchronize by Albkat
January 23, 2024 17:16 5m 33s Albkat:main
Albkat:main
January 23, 2024 17:16 5m 33s
refactor geometry optimization (part 1) CI #1408: Pull request #947 synchronize by Albkat
January 23, 2024 16:41 7m 36s Albkat:TS
Albkat:TS
January 23, 2024 16:41 7m 36s
refactor geometry optimization (part 1) CI #1407: Pull request #947 synchronize by Albkat
January 23, 2024 16:28 4m 52s Albkat:TS
Albkat:TS
January 23, 2024 16:28 4m 52s
add description of xtbtopo.mol CI #1406: Pull request #951 synchronize by Albkat
January 23, 2024 15:26 7m 55s issue950
issue950
January 23, 2024 15:26 7m 55s
add description of xtbtopo.mol CI #1405: Commit 7a25763 pushed by Albkat
January 23, 2024 15:26 8m 19s issue950
issue950
January 23, 2024 15:26 8m 19s
mindless benchmark fix uhf (#953) CI #1404: Commit 20f56a7 pushed by Albkat
January 23, 2024 07:33 8m 27s main
main
January 23, 2024 07:33 8m 27s
refactor geometry optimization (part 1) CI #1403: Pull request #947 synchronize by Albkat
January 22, 2024 18:11 4m 50s Albkat:TS
Albkat:TS
January 22, 2024 18:11 4m 50s
mindless benchmark fix uhf CI #1402: Pull request #953 opened by Albkat
January 22, 2024 15:32 7m 37s Albkat:fix
Albkat:fix
January 22, 2024 15:32 7m 37s
constrain all atoms CI #1401: Pull request #928 synchronize by Albkat
January 22, 2024 15:19 7m 40s Albkat:main
Albkat:main
January 22, 2024 15:19 7m 40s
Fix constraints for aISS docking CI #1400: Pull request #931 synchronize by cplett
January 19, 2024 12:34 6m 39s cplett:aISS
cplett:aISS
January 19, 2024 12:34 6m 39s
add description of xtbtopo.mol CI #1399: Pull request #951 opened by Albkat
January 17, 2024 16:13 6m 48s issue950
issue950
January 17, 2024 16:13 6m 48s
add description of xtbtopo.mol CI #1398: Commit 391daf2 pushed by Albkat
January 17, 2024 16:12 7m 5s issue950
issue950
January 17, 2024 16:12 7m 5s
fix preprocessor definitions (#946) CI #1397: Commit 0fb151d pushed by Albkat
January 17, 2024 16:00 7m 8s issue950
issue950
January 17, 2024 16:00 7m 8s
Implementation of the density tight-binding (PTB) method CI #1396: Pull request #948 opened by marcelmbn
January 10, 2024 14:35 5m 36s marcelmbn:ptb
marcelmbn:ptb
January 10, 2024 14:35 5m 36s
fix preprocessor definitions (#946) CI #1395: Commit 0fb151d pushed by Albkat
January 10, 2024 07:21 8m 1s main
main
January 10, 2024 07:21 8m 1s
refactor geometry optimization (part 1) CI #1394: Pull request #947 opened by Albkat
January 9, 2024 17:37 7m 50s Albkat:TS
Albkat:TS
January 9, 2024 17:37 7m 50s
fix preprocessor definitions CI #1393: Pull request #946 opened by Albkat
January 9, 2024 13:50 5m 25s Albkat:cmake_tblite
Albkat:cmake_tblite
January 9, 2024 13:50 5m 25s
constrain all atoms CI #1391: Pull request #928 synchronize by Albkat
December 25, 2023 13:10 7m 57s Albkat:main
Albkat:main
December 25, 2023 13:10 7m 57s
temporary fix for CI (#937) CI #1390: Commit 6933e33 pushed by awvwgk
December 25, 2023 12:31 8m 28s main
main
December 25, 2023 12:31 8m 28s