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Detect ifx (intel-llvm) when determining compiler settings CI #1515: Pull request #1060 synchronize by TyBalduf
June 24, 2024 17:07 10m 38s TyBalduf:patch-1
TyBalduf:patch-1
June 24, 2024 17:07 10m 38s
Detect ifx (intel-llvm) when determining compiler settings CI #1514: Pull request #1060 opened by TyBalduf
June 24, 2024 17:02 3m 52s TyBalduf:patch-1
TyBalduf:patch-1
June 24, 2024 17:02 3m 52s
Changed sign in Fukui indicies and updated printout a bit (#1057) CI #1513: Commit 2d55ea9 pushed by haneug
June 20, 2024 14:14 11m 20s main
main
June 20, 2024 14:14 11m 20s
Change sign of Fukui indices CI #1512: Pull request #1057 opened by haneug
June 20, 2024 11:08 8m 10s haneug:Fukui
haneug:Fukui
June 20, 2024 11:08 8m 10s
Increase number of characters for Schoenflies notation from 4 to 6 (#… CI #1511: Commit ea8f5f5 pushed by haneug
June 20, 2024 08:58 9m 41s main
main
June 20, 2024 08:58 9m 41s
Increase number of characters for Schoenflies notation from 4 to 6 CI #1510: Pull request #1056 opened by haneug
June 20, 2024 08:42 8m 25s haneug:thermo-diatom
haneug:thermo-diatom
June 20, 2024 08:42 8m 25s
change product to hardcoded number fixes #1012 fixes #998 fixes #997 CI #1509: Pull request #1051 synchronize by james-qbraid
June 11, 2024 23:26 3m 42s james-qbraid:remove_product_from_allocation
james-qbraid:remove_product_from_allocation
June 11, 2024 23:26 3m 42s
refactor geometry optimization (part 2) (#982) CI #1504: Commit 67a6b3b pushed by Albkat
May 15, 2024 05:20 4m 39s main
main
May 15, 2024 05:20 4m 39s
mapping between tblite and xtb (#1026) CI #1503: Commit 96e6a25 pushed by Albkat
May 14, 2024 11:25 9m 10s main
main
May 14, 2024 11:25 9m 10s
update solvation docs (#1028) CI #1502: Commit 1f97a60 pushed by Albkat
April 30, 2024 21:13 6h 0m 24s main
main
April 30, 2024 21:13 6h 0m 24s
update solvation docs CI #1501: Pull request #1028 synchronize by Albkat
April 30, 2024 05:57 6h 0m 27s Albkat:1019-help-message-incorrect-for-gbsa-and-alpb-default-reference-state
Albkat:1019-help-message-incorrect-for-gbsa-and-alpb-default-reference-state
April 30, 2024 05:57 6h 0m 27s
update solvation docs CI #1500: Pull request #1028 synchronize by Albkat
April 29, 2024 15:44 6h 0m 28s Albkat:1019-help-message-incorrect-for-gbsa-and-alpb-default-reference-state
Albkat:1019-help-message-incorrect-for-gbsa-and-alpb-default-reference-state
April 29, 2024 15:44 6h 0m 28s
update solvation docs CI #1499: Pull request #1028 opened by Albkat
April 29, 2024 15:39 6h 0m 24s Albkat:1019-help-message-incorrect-for-gbsa-and-alpb-default-reference-state
Albkat:1019-help-message-incorrect-for-gbsa-and-alpb-default-reference-state
April 29, 2024 15:39 6h 0m 24s
mapping between tblite and xtb CI #1497: Pull request #1026 opened by Albkat
April 29, 2024 12:17 3m 40s Albkat:mapping
Albkat:mapping
April 29, 2024 12:17 3m 40s
error tblite/ptb + solvation (#1020) CI #1496: Commit 6d88fe0 pushed by Albkat
April 29, 2024 06:39 31m 40s main
main
April 29, 2024 06:39 31m 40s
fix CI (#1021) CI #1495: Commit 1a04630 pushed by Albkat
April 25, 2024 12:23 15m 34s main
main
April 25, 2024 12:23 15m 34s
fix CI CI #1494: Pull request #1021 opened by Albkat
April 25, 2024 11:48 8m 23s Albkat:fix_macos
Albkat:fix_macos
April 25, 2024 11:48 8m 23s
error tblite/ptb + solvation CI #1493: Pull request #1020 opened by Albkat
April 24, 2024 21:46 30s Albkat:1015-tblite-ignores-solvation-alpb-gbsa
Albkat:1015-tblite-ignores-solvation-alpb-gbsa
April 24, 2024 21:46 30s
Allow disabling cell optimization via command line argument (#1011) CI #1492: Commit 7bc92cd pushed by Thomas3R
April 16, 2024 12:35 9m 27s main
main
April 16, 2024 12:35 9m 27s
Allow disabling cell optimization via command line argument CI #1491: Pull request #1011 opened by Thomas3R
April 16, 2024 08:25 8m 24s Thomas3R:main
Thomas3R:main
April 16, 2024 08:25 8m 24s
add --ceh flag (#1010) CI #1490: Commit 9d95c03 pushed by Albkat
April 12, 2024 11:24 8m 54s main
main
April 12, 2024 11:24 8m 54s
add --ceh flag CI #1489: Pull request #1010 opened by Albkat
April 12, 2024 11:10 8m 16s Albkat:ceh
Albkat:ceh
April 12, 2024 11:10 8m 16s
include preprocessor definitions in test exe (#1008) CI #1488: Commit 90b081d pushed by Albkat
April 10, 2024 06:59 10m 12s main
main
April 10, 2024 06:59 10m 12s
include preprocessor definitions CI #1487: Pull request #1008 opened by Albkat
April 5, 2024 16:42 18m 17s Albkat:ptb_meson
Albkat:ptb_meson
April 5, 2024 16:42 18m 17s
Update gfnff_lists JSON output (#1005) CI #1486: Commit a73499f pushed by Thomas3R
March 28, 2024 14:12 10m 45s main
main
March 28, 2024 14:12 10m 45s