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CREST 3.0 pre-release CI #203: Pull request #250 opened by pprcht
January 20, 2024 16:49 5m 59s pprcht:3.0prerelease
pprcht:3.0prerelease
January 20, 2024 16:49 5m 59s
Fix QCG constraints & Cleanup (#246) CI #202: Commit 8505366 pushed by pprcht
January 18, 2024 15:24 14m 12s 3.0dev
3.0dev
January 18, 2024 15:24 14m 12s
Fix QCG constraints & Cleanup CI #201: Pull request #246 synchronize by cplett
January 9, 2024 09:57 8m 34s cplett:3.0dev
cplett:3.0dev
January 9, 2024 09:57 8m 34s
Fix QCG constraints & Cleanup CI #200: Pull request #246 opened by cplett
December 12, 2023 15:37 8m 4s cplett:3.0dev
cplett:3.0dev
December 12, 2023 15:37 8m 4s
Update QCG structure read-in (#243) CI #199: Commit 6942885 pushed by pprcht
December 7, 2023 15:46 7m 8s 3.0dev
3.0dev
December 7, 2023 15:46 7m 8s
Update QCG input file processing CI #198: Pull request #243 opened by cplett
December 7, 2023 15:28 5m 32s cplett:3.0_qcg
cplett:3.0_qcg
December 7, 2023 15:28 5m 32s
Fix ANCOPT bug CI #197: Commit 035c4e0 pushed by pprcht
November 26, 2023 01:02 5m 42s 3.0dev
3.0dev
November 26, 2023 01:02 5m 42s
Devel xhcff CI #196: Pull request #240 opened by zellerf
November 22, 2023 16:36 5m 42s zellerf:devel_xhcff
zellerf:devel_xhcff
November 22, 2023 16:36 5m 42s
Some cleanup of optimization algorithms + implementation of gradient … CI #195: Commit 43c0ee1 pushed by pprcht
November 19, 2023 11:58 6m 58s 3.0dev
3.0dev
November 19, 2023 11:58 6m 58s
Set threads for MD, allow ANCOPT threshold definition in input.toml CI #194: Commit e784258 pushed by pprcht
November 7, 2023 13:54 7m 58s 3.0dev
3.0dev
November 7, 2023 13:54 7m 58s
Repair tblite subproject build with meson CI #193: Commit 762fc6d pushed by pprcht
October 2, 2023 15:48 8m 4s 3.0dev
3.0dev
October 2, 2023 15:48 8m 4s
Defaults and bug-fixes CI #192: Commit 62b735c pushed by pprcht
October 2, 2023 13:09 13m 16s 3.0dev
3.0dev
October 2, 2023 13:09 13m 16s
Allow QCG site directed solvation (#226) CI #191: Commit 02da018 pushed by pprcht
September 25, 2023 10:23 6m 21s master
master
September 25, 2023 10:23 6m 21s
Allow QCG site directed solvation CI #190: Pull request #226 synchronize by pprcht
September 25, 2023 10:17 5m 30s cplett:QCG_1
cplett:QCG_1
September 25, 2023 10:17 5m 30s
Make final GFN2 optimizations in QCG optional (#224) CI #189: Commit 731611c pushed by pprcht
September 25, 2023 09:48 5m 14s master
master
September 25, 2023 09:48 5m 14s
Allow QCG site directed solvation CI #188: Pull request #226 opened by cplett
September 12, 2023 10:48 7m 35s cplett:QCG_1
cplett:QCG_1
September 12, 2023 10:48 7m 35s
Make final GFN2 optimizations in QCG optional CI #187: Pull request #224 synchronize by cplett
August 28, 2023 08:24 5m 18s cplett:QCG
cplett:QCG
August 28, 2023 08:24 5m 18s
Make final GFN2 optimizations in QCG optional CI #186: Pull request #224 opened by cplett
August 28, 2023 07:45 5m 59s cplett:QCG
cplett:QCG
August 28, 2023 07:45 5m 59s
removed the last old fortran code files. everything .f90 now. CI #185: Commit d1159a3 pushed by pprcht
August 19, 2023 16:43 8m 40s 3.0dev
3.0dev
August 19, 2023 16:43 8m 40s
Crosschecked XHCFF printout settings CI #184: Commit 7f9757c pushed by pprcht
August 4, 2023 12:53 8m 28s 3.0dev
3.0dev
August 4, 2023 12:53 8m 28s
xhcff (#213) CI #183: Commit ec3b927 pushed by pprcht
August 4, 2023 11:25 8m 29s 3.0dev
3.0dev
August 4, 2023 11:25 8m 29s
Fzeller xhcff CI #182: Pull request #213 synchronize by pprcht
August 4, 2023 11:09 8m 49s zellerf:fzeller_xhcff
zellerf:fzeller_xhcff
August 4, 2023 11:09 8m 49s
Rebasing & reimplementations (#214) CI #181: Commit 3338bbd pushed by pprcht
August 4, 2023 10:44 7m 27s 3.0dev
3.0dev
August 4, 2023 10:44 7m 27s
Rebasing & reimplementations CI #180: Pull request #214 opened by pprcht
August 4, 2023 10:44 8m 38s pprcht:devel
pprcht:devel
August 4, 2023 10:44 8m 38s
Fzeller xhcff CI #179: Pull request #213 opened by zellerf
August 4, 2023 09:39 8m 19s zellerf:fzeller_xhcff
zellerf:fzeller_xhcff
August 4, 2023 09:39 8m 19s