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Work on BHGO, make nice printouts etc. CI #285: Commit f50a3cb pushed by pprcht
December 13, 2024 15:59 5m 59s GMIN
GMIN
December 13, 2024 15:59 5m 59s
Fix typo in keyword CI #284: Commit 1a38350 pushed by pprcht
December 11, 2024 09:27 6m 21s 3.0.2-maintenance
3.0.2-maintenance
December 11, 2024 09:27 6m 21s
Add "deprotonate" and "tautomerize" to TOML input file runtypes CI #283: Commit 5aaa60a pushed by pprcht
December 6, 2024 15:32 6m 18s 3.0.2-maintenance
3.0.2-maintenance
December 6, 2024 15:32 6m 18s
Merge branch '3.0.2-maintenance' into per_rmsd CI #282: Commit bbf7203 pushed by pprcht
December 1, 2024 15:44 6m 11s per_rmsd
per_rmsd
December 1, 2024 15:44 6m 11s
Update test-drive subproject CI #281: Commit 3050775 pushed by pprcht
December 1, 2024 15:33 6m 41s 3.0.2-maintenance
3.0.2-maintenance
December 1, 2024 15:33 6m 41s
Merge branch 'master' of github.com:crest-lab/crest into per_rmsd CI #280: Commit 3e5bc20 pushed by pprcht
November 30, 2024 12:41 6m 49s per_rmsd
per_rmsd
November 30, 2024 12:41 6m 49s
bug fix maintenance (#361) CI #279: Commit a12cb48 pushed by pprcht
November 5, 2024 15:12 6m 50s master
master
November 5, 2024 15:12 6m 50s
Fix maxcycle stop in ANCOPT so that microiterations don't overshoot CI #278: Commit 9908b42 pushed by pprcht
October 10, 2024 16:06 6m 30s 3.0.2-maintenance
3.0.2-maintenance
October 10, 2024 16:06 6m 30s
Nicer exit status handling (not yet refactored for entire code, but s… CI #277: Commit 65e5140 pushed by pprcht
October 10, 2024 14:36 16m 37s 3.0.2-maintenance
3.0.2-maintenance
October 10, 2024 14:36 16m 37s
Sorting procedure including invariant RMSD CI #276: Commit 36990a9 pushed by pprcht
October 10, 2024 07:34 7m 59s per_rmsd
per_rmsd
October 10, 2024 07:34 7m 59s
More iRMSD based sorting functionalities CI #275: Commit e002ecd pushed by pprcht
September 28, 2024 01:54 6m 43s per_rmsd
per_rmsd
September 28, 2024 01:54 6m 43s
Fix multilevel activation for MD (#350) CI #274: Commit a71e303 pushed by pprcht
September 27, 2024 16:59 7m 32s master
master
September 27, 2024 16:59 7m 32s
Fixes #348 CI #273: Commit c8893c4 pushed by pprcht
September 27, 2024 16:41 7m 8s 3.0.2-maintenance
3.0.2-maintenance
September 27, 2024 16:41 7m 8s
Some maintenance, fix unit tests CI #272: Commit ca38408 pushed by pprcht
September 26, 2024 21:53 6m 38s per_rmsd
per_rmsd
September 26, 2024 21:53 6m 38s
Test implementation for minimizing RMSD CI #271: Commit d55fdbb pushed by pprcht
September 15, 2024 01:35 5m 48s per_rmsd
per_rmsd
September 15, 2024 01:35 5m 48s
Catch bad indexing for failing assignments CI #270: Commit 162ee28 pushed by pprcht
September 9, 2024 23:44 6m 9s per_rmsd
per_rmsd
September 9, 2024 23:44 6m 9s
iRMSD working CI #269: Commit 97b1004 pushed by pprcht
September 9, 2024 21:39 6m 6s per_rmsd
per_rmsd
September 9, 2024 21:39 6m 6s
Nearly complete initial implementation of iRMSD CI #268: Commit 5cc3eb4 pushed by pprcht
September 8, 2024 03:56 6m 24s per_rmsd
per_rmsd
September 8, 2024 03:56 6m 24s
cntd. work on invariant RMSD CI #267: Commit 8092ad3 pushed by pprcht
September 4, 2024 20:09 6m 19s per_rmsd
per_rmsd
September 4, 2024 20:09 6m 19s
Issue templates CI #266: Commit be4c3d2 pushed by pprcht
August 29, 2024 14:39 6m 25s master
master
August 29, 2024 14:39 6m 25s
Printout change for automated builds CI #265: Commit af7eb99 pushed by pprcht
August 25, 2024 20:01 6m 35s devel
devel
August 25, 2024 20:01 6m 35s
CMake config: let tblite be found from modified fork (if git submodul… CI #264: Commit bbf8803 pushed by pprcht
August 25, 2024 18:47 6m 41s master
master
August 25, 2024 18:47 6m 41s
CMake config: let tblite be found from modified fork (if git submodul… CI #263: Commit bbf8803 pushed by pprcht
August 25, 2024 18:46 6m 8s devel
devel
August 25, 2024 18:46 6m 8s
Fix I/O bug for GNU continuous release binary CI #262: Commit 3f6404b pushed by pprcht
August 22, 2024 20:26 6m 16s devel
devel
August 22, 2024 20:26 6m 16s
debugging cont release CI #261: Commit f5af38b pushed by pprcht
August 22, 2024 20:14 6m 29s workflow_update
workflow_update
August 22, 2024 20:14 6m 29s