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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
temporary fix for CI CI #1389: Pull request #937 synchronize by Albkat
December 25, 2023 12:15 5m 22s Albkat:fix_ifort
Albkat:fix_ifort
December 25, 2023 12:15 5m 22s
Periodic boundary conditions in GFN-FF CI #1388: Pull request #929 synchronize by Thomas3R
December 22, 2023 14:41 3m 14s Thomas3R:main
Thomas3R:main
December 22, 2023 14:41 3m 14s
temporary fix for CI CI #1387: Pull request #937 opened by Albkat
December 22, 2023 10:49 7m 41s Albkat:fix_ifort
Albkat:fix_ifort
December 22, 2023 10:49 7m 41s
Periodic boundary conditions in GFN-FF CI #1386: Pull request #929 synchronize by Thomas3R
December 15, 2023 14:29 3m 16s Thomas3R:main
Thomas3R:main
December 15, 2023 14:29 3m 16s
Periodic boundary conditions in GFN-FF CI #1385: Pull request #929 synchronize by Thomas3R
December 13, 2023 16:16 10m 16s Thomas3R:main
Thomas3R:main
December 13, 2023 16:16 10m 16s
Periodic boundary conditions in GFN-FF CI #1384: Pull request #929 synchronize by Thomas3R
December 12, 2023 15:55 6m 46s Thomas3R:main
Thomas3R:main
December 12, 2023 15:55 6m 46s
Fix constraints for aISS docking CI #1383: Pull request #931 opened by cplett
December 12, 2023 15:47 3m 17s cplett:aISS
cplett:aISS
December 12, 2023 15:47 3m 17s
Sandwich Potential CI #1382: Pull request #930 synchronize by MtoLStoN
December 12, 2023 15:06 10m 23s demonic-daisy:main2
demonic-daisy:main2
December 12, 2023 15:06 10m 23s
Periodic boundary conditions in GFN-FF CI #1381: Pull request #929 synchronize by Thomas3R
December 12, 2023 14:37 6m 4s Thomas3R:main
Thomas3R:main
December 12, 2023 14:37 6m 4s
Periodic boundary conditions in GFN-FF CI #1380: Pull request #929 synchronize by Thomas3R
December 12, 2023 13:43 6m 14s Thomas3R:main
Thomas3R:main
December 12, 2023 13:43 6m 14s
Sandwich Potential CI #1379: Pull request #930 synchronize by Albkat
December 12, 2023 13:43 5m 29s demonic-daisy:main2
demonic-daisy:main2
December 12, 2023 13:43 5m 29s
Periodic boundary conditions in GFN-FF CI #1378: Pull request #929 synchronize by Thomas3R
December 12, 2023 13:31 5m 26s Thomas3R:main
Thomas3R:main
December 12, 2023 13:31 5m 26s