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Merge pull request #75 from xiaoruiDong/fix_mol
Continuous Integration #146: Commit 1c42c87 pushed by xiaoruiDong
November 6, 2023 15:57 19m 45s main
November 6, 2023 15:57 19m 45s
Merge pull request #75 from xiaoruiDong/fix_mol
Build Documentation #16: Commit 1c42c87 pushed by xiaoruiDong
November 6, 2023 15:57 3m 40s main
November 6, 2023 15:57 3m 40s
Continuous Integration
Continuous Integration #145: Scheduled
November 6, 2023 08:03 17m 49s main
November 6, 2023 08:03 17m 49s
Continuous Integration
Continuous Integration #144: Scheduled
November 5, 2023 09:02 14m 8s main
November 5, 2023 09:02 14m 8s
Continuous Integration
Continuous Integration #143: Scheduled
November 4, 2023 08:02 16m 28s main
November 4, 2023 08:02 16m 28s
Continuous Integration
Continuous Integration #142: Scheduled
November 3, 2023 08:02 17m 16s main
November 3, 2023 08:02 17m 16s
More molecule fixes and helper reactions for checking molecules / reactions
Continuous Integration #141: Pull request #75 synchronize by xiaoruiDong
November 2, 2023 21:25 16m 51s fix_mol
November 2, 2023 21:25 16m 51s
Add a filter for items from ResonanceMolSupplier
Continuous Integration #140: Commit aebc2ae pushed by xiaoruiDong
November 2, 2023 21:25 15m 59s fix_mol
November 2, 2023 21:25 15m 59s
More molecule fixes and helper reactions for checking molecules / reactions
Continuous Integration #139: Pull request #75 synchronize by xiaoruiDong
November 2, 2023 19:53 18m 0s fix_mol
November 2, 2023 19:53 18m 0s
Add a new fix for oxonium bonds
Continuous Integration #138: Commit 7c76046 pushed by xiaoruiDong
November 2, 2023 19:53 22m 37s fix_mol
November 2, 2023 19:53 22m 37s
More molecule fixes and helper reactions for checking molecules / reactions
Continuous Integration #137: Pull request #75 synchronize by xiaoruiDong
November 2, 2023 17:38 15m 54s fix_mol
November 2, 2023 17:38 15m 54s
Improve interact_irc
Continuous Integration #136: Commit 572223a pushed by xiaoruiDong
November 2, 2023 17:38 17m 52s fix_mol
November 2, 2023 17:38 17m 52s
More molecule fixes and helper reactions for checking molecules / reactions
Continuous Integration #135: Pull request #75 synchronize by xiaoruiDong
November 2, 2023 16:51 22m 11s fix_mol
November 2, 2023 16:51 22m 11s
Bugfix: avoid double counting for O-O oxonium
Continuous Integration #134: Commit 60b2f91 pushed by xiaoruiDong
November 2, 2023 16:51 18m 4s fix_mol
November 2, 2023 16:51 18m 4s
More molecule fixes and helper reactions for checking molecules / reactions
Continuous Integration #133: Pull request #75 synchronize by xiaoruiDong
November 2, 2023 15:30 20m 53s fix_mol
November 2, 2023 15:30 20m 53s
Improve fix_oxonium_bonds
Continuous Integration #132: Commit d456a7f pushed by xiaoruiDong
November 2, 2023 15:30 17m 38s fix_mol
November 2, 2023 15:30 17m 38s
Continuous Integration
Continuous Integration #131: Scheduled
November 2, 2023 08:02 16m 53s main
November 2, 2023 08:02 16m 53s
More molecule fixes and helper reactions for checking molecules / reactions
Continuous Integration #130: Pull request #75 synchronize by xiaoruiDong
November 2, 2023 04:23 15m 23s fix_mol
November 2, 2023 04:23 15m 23s
Add functions to fix molecules with oxonium
Continuous Integration #129: Commit 992e128 pushed by xiaoruiDong
November 2, 2023 04:23 15m 4s fix_mol
November 2, 2023 04:23 15m 4s
More molecule fixes and helper reactions for checking molecules / reactions
Continuous Integration #128: Pull request #75 synchronize by xiaoruiDong
November 1, 2023 20:25 19m 43s fix_mol
November 1, 2023 20:25 19m 43s
Minor: fix xyz2mol format
Continuous Integration #127: Commit f23a30a pushed by xiaoruiDong
November 1, 2023 20:25 20m 7s fix_mol
November 1, 2023 20:25 20m 7s
More molecule fixes and helper reactions for checking molecules / reactions
Continuous Integration #126: Pull request #75 synchronize by xiaoruiDong
November 1, 2023 20:23 2m 48s fix_mol
November 1, 2023 20:23 2m 48s
Deprecate fix_CO in the from_xyz workflow and add it to fix_mol
Continuous Integration #125: Commit 57d03e3 pushed by xiaoruiDong
November 1, 2023 20:23 2m 38s fix_mol
November 1, 2023 20:23 2m 38s
More molecule fixes and helper reactions for checking molecules / reactions
Continuous Integration #124: Pull request #75 synchronize by xiaoruiDong
November 1, 2023 18:28 19m 39s fix_mol
November 1, 2023 18:28 19m 39s
Add new fixes for peroxide bi-radicals
Continuous Integration #123: Commit 209bdf1 pushed by xiaoruiDong
November 1, 2023 18:28 19m 23s fix_mol
November 1, 2023 18:28 19m 23s
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