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Fix ASAN reported integer overflow CMake Build Matrix #487: Pull request #2695 opened by romanbsd
May 7, 2024 12:50 Action required romanbsd:int-overflow
romanbsd:int-overflow
May 7, 2024 12:50 Action required
Support conversion to CMLR CMake Build Matrix #486: Pull request #2694 opened by romanbsd
May 7, 2024 12:49 Action required romanbsd:cmlr-conversion
romanbsd:cmlr-conversion
May 7, 2024 12:49 Action required
Fix memory leaks for xmlChar allocated by libxml CMake Build Matrix #485: Pull request #2693 opened by romanbsd
May 7, 2024 12:46 Action required romanbsd:memory-leak
romanbsd:memory-leak
May 7, 2024 12:46 Action required
Change check for rpc/xdr.h CMake Build Matrix #484: Pull request #2684 opened by fredrikw
March 22, 2024 08:46 10m 51s fredrikw:gh_1996
fredrikw:gh_1996
March 22, 2024 08:46 10m 51s
Remove redundant SSSR rings based on bond paths CMake Build Matrix #483: Pull request #2648 synchronize by fredrikw
March 15, 2024 07:17 7m 11s fredrikw:gh_2641
fredrikw:gh_2641
March 15, 2024 07:17 7m 11s
Merge pull request #2682 from fredrikw/fix_test_obconvwriter_pcjson CMake Build Matrix #482: Commit fffa4af pushed by ghutchis
March 11, 2024 16:23 7m 46s master
master
March 11, 2024 16:23 7m 46s
Fix failing test in testobconv_writers CMake Build Matrix #481: Pull request #2682 opened by fredrikw
March 11, 2024 15:34 8m 55s fredrikw:fix_test_obconvwriter_pcjson
fredrikw:fix_test_obconvwriter_pcjson
March 11, 2024 15:34 8m 55s
Remove redundant SSSR rings based on bond paths CMake Build Matrix #480: Pull request #2648 synchronize by fredrikw
March 11, 2024 13:52 44m 53s fredrikw:gh_2641
fredrikw:gh_2641
March 11, 2024 13:52 44m 53s
Remove redundant SSSR rings based on bond paths CMake Build Matrix #479: Pull request #2648 synchronize by fredrikw
March 8, 2024 15:00 14m 30s fredrikw:gh_2641
fredrikw:gh_2641
March 8, 2024 15:00 14m 30s
Make CorrectForPH respect perceived chains. CMake Build Matrix #478: Pull request #2678 opened by fredrikw
March 5, 2024 12:42 44m 57s fredrikw:gh_2677
fredrikw:gh_2677
March 5, 2024 12:42 44m 57s
Implemented code for atom-typing to support the Alexandria force field. CMake Build Matrix #477: Pull request #2664 opened by dspoel
January 16, 2024 10:34 42m 26s dspoel:alexandria-patch
dspoel:alexandria-patch
January 16, 2024 10:34 42m 26s
Merge pull request #2654 from ghutchis/more-cjson CMake Build Matrix #474: Commit 32cf131 pushed by ghutchis
December 6, 2023 14:59 49m 58s master
master
December 6, 2023 14:59 49m 58s
Remove redundant SSSR rings based on bond paths CMake Build Matrix #473: Pull request #2648 synchronize by fredrikw
December 6, 2023 13:44 2h 55m 1s fredrikw:gh_2641
fredrikw:gh_2641
December 6, 2023 13:44 2h 55m 1s
Add more cjson features, including conformer energies CMake Build Matrix #472: Pull request #2654 opened by ghutchis
December 6, 2023 05:08 40m 21s ghutchis:more-cjson
ghutchis:more-cjson
December 6, 2023 05:08 40m 21s
Merge pull request #2653 from ghutchis/fix-xtb-gaussian-vibrations CMake Build Matrix #471: Commit f67d6bc pushed by ghutchis
December 6, 2023 05:08 40m 19s master
master
December 6, 2023 05:08 40m 19s
Merge pull request #2637 from dkoes/segnames CMake Build Matrix #470: Commit 283cc84 pushed by ghutchis
December 6, 2023 05:07 41m 11s master
master
December 6, 2023 05:07 41m 11s
Merge pull request #2649 from fredrikw/gh_2646 CMake Build Matrix #469: Commit 182c80f pushed by ghutchis
December 6, 2023 05:05 44m 0s master
master
December 6, 2023 05:05 44m 0s
Fix parsing "Gaussian" vibration output from xtb program CMake Build Matrix #468: Pull request #2653 synchronize by ghutchis
December 1, 2023 12:32 45m 42s ghutchis:fix-xtb-gaussian-vibrations
ghutchis:fix-xtb-gaussian-vibrations
December 1, 2023 12:32 45m 42s
Fix parsing "Gaussian" vibration output from xtb program CMake Build Matrix #467: Pull request #2653 opened by ghutchis
December 1, 2023 03:24 6h 0m 12s ghutchis:fix-xtb-gaussian-vibrations
ghutchis:fix-xtb-gaussian-vibrations
December 1, 2023 03:24 6h 0m 12s
Proper aromatic support for CML CMake Build Matrix #466: Pull request #2649 opened by fredrikw
November 23, 2023 13:43 44m 39s fredrikw:gh_2646
fredrikw:gh_2646
November 23, 2023 13:43 44m 39s
Remove redundant SSSR rings based on bond paths CMake Build Matrix #465: Pull request #2648 opened by fredrikw
November 23, 2023 10:59 51m 10s fredrikw:gh_2641
fredrikw:gh_2641
November 23, 2023 10:59 51m 10s
Comment out unused parameters CMake Build Matrix #464: Pull request #2075 synchronize by e-kwsm
November 13, 2023 02:07 40m 32s e-kwsm:maybe_unused
e-kwsm:maybe_unused
November 13, 2023 02:07 40m 32s
Clean up tools/obabel.cpp CMake Build Matrix #463: Pull request #2152 synchronize by e-kwsm
November 13, 2023 01:55 40m 54s e-kwsm:cleanup-obabel
e-kwsm:cleanup-obabel
November 13, 2023 01:55 40m 54s
Tidy up CMake Build Matrix #462: Pull request #2091 synchronize by e-kwsm
November 13, 2023 01:55 52m 14s e-kwsm:fix-2088
e-kwsm:fix-2088
November 13, 2023 01:55 52m 14s
Support for segment names in pdb files CMake Build Matrix #461: Pull request #2637 synchronize by dkoes
November 7, 2023 15:16 58m 30s dkoes:segnames
dkoes:segnames
November 7, 2023 15:16 58m 30s