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Fix ASAN reported integer overflow Build SWIG bindings #421: 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 Build SWIG bindings #420: 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 Build SWIG bindings #419: 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 Build SWIG bindings #418: Pull request #2684 opened by fredrikw
March 22, 2024 08:46 5m 29s fredrikw:gh_1996
fredrikw:gh_1996
March 22, 2024 08:46 5m 29s
Remove redundant SSSR rings based on bond paths Build SWIG bindings #417: Pull request #2648 synchronize by fredrikw
March 15, 2024 07:17 6m 0s fredrikw:gh_2641
fredrikw:gh_2641
March 15, 2024 07:17 6m 0s
Merge pull request #2682 from fredrikw/fix_test_obconvwriter_pcjson Build SWIG bindings #416: Commit fffa4af pushed by ghutchis
March 11, 2024 16:23 5m 40s master
master
March 11, 2024 16:23 5m 40s
Fix failing test in testobconv_writers Build SWIG bindings #415: Pull request #2682 opened by fredrikw
March 11, 2024 15:34 5m 35s fredrikw:fix_test_obconvwriter_pcjson
fredrikw:fix_test_obconvwriter_pcjson
March 11, 2024 15:34 5m 35s
Remove redundant SSSR rings based on bond paths Build SWIG bindings #414: Pull request #2648 synchronize by fredrikw
March 11, 2024 13:52 5m 41s fredrikw:gh_2641
fredrikw:gh_2641
March 11, 2024 13:52 5m 41s
Remove redundant SSSR rings based on bond paths Build SWIG bindings #413: Pull request #2648 synchronize by fredrikw
March 8, 2024 15:00 5m 15s fredrikw:gh_2641
fredrikw:gh_2641
March 8, 2024 15:00 5m 15s
Make CorrectForPH respect perceived chains. Build SWIG bindings #412: Pull request #2678 opened by fredrikw
March 5, 2024 12:42 5m 30s fredrikw:gh_2677
fredrikw:gh_2677
March 5, 2024 12:42 5m 30s
Implemented code for atom-typing to support the Alexandria force field. Build SWIG bindings #411: Pull request #2664 opened by dspoel
January 16, 2024 10:34 5m 20s dspoel:alexandria-patch
dspoel:alexandria-patch
January 16, 2024 10:34 5m 20s
Merge pull request #2654 from ghutchis/more-cjson Build SWIG bindings #408: Commit 32cf131 pushed by ghutchis
December 6, 2023 14:59 5m 11s master
master
December 6, 2023 14:59 5m 11s
Remove redundant SSSR rings based on bond paths Build SWIG bindings #407: Pull request #2648 synchronize by fredrikw
December 6, 2023 13:44 5m 13s fredrikw:gh_2641
fredrikw:gh_2641
December 6, 2023 13:44 5m 13s
Add more cjson features, including conformer energies Build SWIG bindings #406: Pull request #2654 opened by ghutchis
December 6, 2023 05:08 5m 46s ghutchis:more-cjson
ghutchis:more-cjson
December 6, 2023 05:08 5m 46s
Merge pull request #2653 from ghutchis/fix-xtb-gaussian-vibrations Build SWIG bindings #405: Commit f67d6bc pushed by ghutchis
December 6, 2023 05:08 5m 34s master
master
December 6, 2023 05:08 5m 34s
Merge pull request #2637 from dkoes/segnames Build SWIG bindings #404: Commit 283cc84 pushed by ghutchis
December 6, 2023 05:07 5m 9s master
master
December 6, 2023 05:07 5m 9s
Merge pull request #2649 from fredrikw/gh_2646 Build SWIG bindings #403: Commit 182c80f pushed by ghutchis
December 6, 2023 05:05 6m 0s master
master
December 6, 2023 05:05 6m 0s
Fix parsing "Gaussian" vibration output from xtb program Build SWIG bindings #402: Pull request #2653 synchronize by ghutchis
December 1, 2023 12:32 5m 10s ghutchis:fix-xtb-gaussian-vibrations
ghutchis:fix-xtb-gaussian-vibrations
December 1, 2023 12:32 5m 10s
Fix parsing "Gaussian" vibration output from xtb program Build SWIG bindings #401: Pull request #2653 opened by ghutchis
December 1, 2023 03:24 5m 38s ghutchis:fix-xtb-gaussian-vibrations
ghutchis:fix-xtb-gaussian-vibrations
December 1, 2023 03:24 5m 38s
Proper aromatic support for CML Build SWIG bindings #400: Pull request #2649 opened by fredrikw
November 23, 2023 13:43 5m 23s fredrikw:gh_2646
fredrikw:gh_2646
November 23, 2023 13:43 5m 23s
Remove redundant SSSR rings based on bond paths Build SWIG bindings #399: Pull request #2648 opened by fredrikw
November 23, 2023 10:59 5m 25s fredrikw:gh_2641
fredrikw:gh_2641
November 23, 2023 10:59 5m 25s
Comment out unused parameters Build SWIG bindings #398: Pull request #2075 synchronize by e-kwsm
November 13, 2023 02:07 5m 45s e-kwsm:maybe_unused
e-kwsm:maybe_unused
November 13, 2023 02:07 5m 45s
Clean up tools/obabel.cpp Build SWIG bindings #397: Pull request #2152 synchronize by e-kwsm
November 13, 2023 01:55 10m 22s e-kwsm:cleanup-obabel
e-kwsm:cleanup-obabel
November 13, 2023 01:55 10m 22s
Tidy up Build SWIG bindings #396: Pull request #2091 synchronize by e-kwsm
November 13, 2023 01:55 8m 46s e-kwsm:fix-2088
e-kwsm:fix-2088
November 13, 2023 01:55 8m 46s
Support for segment names in pdb files Build SWIG bindings #395: Pull request #2637 synchronize by dkoes
November 7, 2023 15:16 8m 43s dkoes:segnames
dkoes:segnames
November 7, 2023 15:16 8m 43s