{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":1838004,"defaultBranch":"main","name":"RMG-database","ownerLogin":"ReactionMechanismGenerator","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2011-06-02T16:09:36.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/12617462?v=4","public":true,"private":false,"isOrgOwned":true},"refInfo":{"name":"","listCacheKey":"v0:1727216858.0","currentOid":""},"activityList":{"items":[{"before":null,"after":"f0a60d2347709337956aaac74a5e2597d6e927fd","ref":"refs/heads/lithium_reorder","pushedAt":"2024-09-24T22:27:38.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"ssun30","name":"Su Sun","path":"/ssun30","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/56568705?s=80&v=4"},"commit":{"message":"changes to reference set calculated data\n\nas a result of the changes in the AECs\nthe H298 values (after AECs) for the\ncalculated data has changed for the\ncorresponding levels of theory","shortMessageHtmlLink":"changes to reference set calculated data"}},{"before":null,"after":"ffe6214c5ed2996ee6139c1641491409f44a65cb","ref":"refs/heads/lithium_quantum_data","pushedAt":"2024-09-24T22:26:28.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"ssun30","name":"Su Sun","path":"/ssun30","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/56568705?s=80&v=4"},"commit":{"message":"changes to reference set calculated data\n\nas a result of the changes in the AECs\nthe H298 values (after AECs) for the\ncalculated data has changed for the\ncorresponding levels of theory","shortMessageHtmlLink":"changes to reference set calculated data"}},{"before":null,"after":"4151a92bc08964678a4e8dc03907fe328d76916f","ref":"refs/heads/lithium_rebase","pushedAt":"2024-09-24T22:22:25.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"ssun30","name":"Su Sun","path":"/ssun30","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/56568705?s=80&v=4"},"commit":{"message":"Removed Electrons from PCET_Beta_vdW Groups","shortMessageHtmlLink":"Removed Electrons from PCET_Beta_vdW Groups"}},{"before":"ccdacdaa8997bea151b019b93c3418a0e04c9ed8","after":null,"ref":"refs/heads/remove_duplicate_fam","pushedAt":"2024-09-19T19:43:46.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"rwest","name":"Richard West","path":"/rwest","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/93807?s=80&v=4"}},{"before":"c609c3388ac2b99b12c6163b71cfc32d233f1ac8","after":"affd292d5872addd4e93c8128fa16058e12fa2e9","ref":"refs/heads/main","pushedAt":"2024-09-19T19:43:45.000Z","pushType":"pr_merge","commitsCount":3,"pusher":{"login":"rwest","name":"Richard West","path":"/rwest","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/93807?s=80&v=4"},"commit":{"message":"Remove Surface_Addition_Single_vdW family which is a duplicate (PR #656)\n\nThe reaction family Surface_Addition_Single_vdW is the reverse reaction of Surface_Dissociation_Beta_vdW. \r\nThere is no need to have both families. In this PR Bjarne removed the Surface_Addition_Single_vdW \r\nfamily since we have BEP rate rules for Surface_Dissociation_Beta_vdW. \r\nSurface_Addition_Single_vdW had some training reactions, which he integrated into the\r\nSurface_Dissociation_Beta_vdW to keep the data in RMG. The Surface_Addition_Single_vdW \r\nis not turned on by default in RMG since it is in the surface_development list of recommended.py.\r\n\r\nSee https://github.com/ReactionMechanismGenerator/RMG-database/pull/656 for more details.","shortMessageHtmlLink":"Remove Surface_Addition_Single_vdW family which is a duplicate (PR #656)"}},{"before":null,"after":"a0704a1cff50366a4c62a3b9a2372da22ca05850","ref":"refs/heads/update_corrections","pushedAt":"2024-09-18T16:57:15.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"bjkreitz","name":"Bjarne Kreitz","path":"/bjkreitz","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/67257008?s=80&v=4"},"commit":{"message":"make adsorptionPt111 more flexible with lone pairs px","shortMessageHtmlLink":"make adsorptionPt111 more flexible with lone pairs px"}},{"before":"e2fc505525a0d3932e3e0f68bda1f2c8b103e747","after":"1ef5fe88a41e90c7d89498bbcd721786893a3bc0","ref":"refs/heads/clean_kinetic_trees","pushedAt":"2024-09-18T15:34:44.000Z","pushType":"push","commitsCount":21,"pusher":{"login":"bjkreitz","name":"Bjarne Kreitz","path":"/bjkreitz","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/67257008?s=80&v=4"},"commit":{"message":"Merge branch 'main' into clean_kinetic_trees","shortMessageHtmlLink":"Merge branch 'main' into clean_kinetic_trees"}},{"before":"0511db9187f30063f63fd8d71d1a07ce9268fc11","after":"ccdacdaa8997bea151b019b93c3418a0e04c9ed8","ref":"refs/heads/remove_duplicate_fam","pushedAt":"2024-09-18T15:34:14.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"bjkreitz","name":"Bjarne Kreitz","path":"/bjkreitz","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/67257008?s=80&v=4"},"commit":{"message":"add training rxn","shortMessageHtmlLink":"add training rxn"}},{"before":"c30868e48436bc91c751dfd897ff65e49dd73923","after":"6890bccd3bc24ee013613d483aaff012674f58e7","ref":"refs/heads/furan_derivatives","pushedAt":"2024-09-09T09:46:43.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"NellyMitnik","name":null,"path":"/NellyMitnik","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/89458314?s=80&v=4"},"commit":{"message":"added some more species in CC","shortMessageHtmlLink":"added some more species in CC"}},{"before":"8bfe3dbce1f46e8f1bca25510089ff77450ea332","after":"c30868e48436bc91c751dfd897ff65e49dd73923","ref":"refs/heads/furan_derivatives","pushedAt":"2024-09-09T07:59:31.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"NellyMitnik","name":null,"path":"/NellyMitnik","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/89458314?s=80&v=4"},"commit":{"message":"added coupled cluster dft species to thermo","shortMessageHtmlLink":"added coupled cluster dft species to thermo"}},{"before":"ffc7e60d03243b79eae1bb914f018785a58fb0ca","after":null,"ref":"refs/heads/script_err","pushedAt":"2024-09-09T03:01:04.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"mjohnson541","name":"Matt Johnson","path":"/mjohnson541","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/7773228?s=80&v=4"}},{"before":"bae334b650aa19ff83a522c221f1e4e648b2238d","after":"c609c3388ac2b99b12c6163b71cfc32d233f1ac8","ref":"refs/heads/main","pushedAt":"2024-09-09T03:01:03.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"mjohnson541","name":"Matt Johnson","path":"/mjohnson541","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/7773228?s=80&v=4"},"commit":{"message":"Merge pull request #663 from ReactionMechanismGenerator/script_err\n\nchanged input name in aec.excecute","shortMessageHtmlLink":"Merge pull request #663 from ReactionMechanismGenerator/script_err"}},{"before":null,"after":"ffc7e60d03243b79eae1bb914f018785a58fb0ca","ref":"refs/heads/script_err","pushedAt":"2024-09-08T18:01:37.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"kfir4444","name":null,"path":"/kfir4444","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/75449651?s=80&v=4"},"commit":{"message":"changed input name in aec.excecute\n\nThe \"output_file\" key is no longer available","shortMessageHtmlLink":"changed input name in aec.excecute"}},{"before":"7747bef3409f9debbd414737c3a8bf1f54a41f7e","after":"8bfe3dbce1f46e8f1bca25510089ff77450ea332","ref":"refs/heads/furan_derivatives","pushedAt":"2024-09-04T09:50:18.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"NellyMitnik","name":null,"path":"/NellyMitnik","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/89458314?s=80&v=4"},"commit":{"message":"uncomment H_abs rxns that are included from Xing_2023 for H\\OH initiationexisted","shortMessageHtmlLink":"uncomment H_abs rxns that are included from Xing_2023 for H\\OH initia…"}},{"before":"911577338b38411984c610cef7ba0c99b0258426","after":"7747bef3409f9debbd414737c3a8bf1f54a41f7e","ref":"refs/heads/furan_derivatives","pushedAt":"2024-09-02T07:50:16.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"NellyMitnik","name":null,"path":"/NellyMitnik","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/89458314?s=80&v=4"},"commit":{"message":"added HO2 abstraction reaction on furfuryl","shortMessageHtmlLink":"added HO2 abstraction reaction on furfuryl"}},{"before":"f62a6b3a4fa20b9db464f95bdadb48ffe39bd68b","after":"911577338b38411984c610cef7ba0c99b0258426","ref":"refs/heads/furan_derivatives","pushedAt":"2024-09-02T07:29:31.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"NellyMitnik","name":null,"path":"/NellyMitnik","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/89458314?s=80&v=4"},"commit":{"message":"added furfuryl unimlecular decomposition from two papers","shortMessageHtmlLink":"added furfuryl unimlecular decomposition from two papers"}},{"before":"5adb6378bd52fe8ab74143d09f221247a1218694","after":"bae334b650aa19ff83a522c221f1e4e648b2238d","ref":"refs/heads/main","pushedAt":"2024-08-15T16:59:17.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"rwest","name":"Richard West","path":"/rwest","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/93807?s=80&v=4"},"commit":{"message":"Merge pull request #660 from ssun30/group_fit_script_patch\n\nRemoves duplicate bad fits in the Benson Group Fitting Notebook.\r\nCurrently the block checking for bad fits will repeatedly add the species index with bad fit if more than one criterion for bad fits is met. This makes the output cell very long if there are multiple \"bad fit species\". This PR removes the duplicates as well as providing feedback on how many species out of the library have bad fits.","shortMessageHtmlLink":"Merge pull request #660 from ssun30/group_fit_script_patch"}},{"before":"fe5884cce1863c71641e3973341cb5732043f593","after":null,"ref":"refs/heads/singlet-carbene-intra-d_tree","pushedAt":"2024-08-14T21:05:25.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"mjohnson541","name":"Matt Johnson","path":"/mjohnson541","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/7773228?s=80&v=4"}},{"before":"24451a09d7cd5eb20647e109214e687418d9e65c","after":"5adb6378bd52fe8ab74143d09f221247a1218694","ref":"refs/heads/main","pushedAt":"2024-08-14T21:05:23.000Z","pushType":"pr_merge","commitsCount":3,"pusher":{"login":"mjohnson541","name":"Matt Johnson","path":"/mjohnson541","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/7773228?s=80&v=4"},"commit":{"message":"Merge pull request #494 from ReactionMechanismGenerator/singlet-carbene-intra-d_tree\n\nTree gen - Singlet Carbene Intra disproportionation","shortMessageHtmlLink":"Merge pull request #494 from ReactionMechanismGenerator/singlet-carbe…"}},{"before":"f5e169d5ff08c3d0abd8fcc9f1b13831f01bbb24","after":"fe5884cce1863c71641e3973341cb5732043f593","ref":"refs/heads/singlet-carbene-intra-d_tree","pushedAt":"2024-08-14T17:51:11.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"JacksonBurns","name":"Jackson Burns","path":"/JacksonBurns","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33505528?s=80&v=4"},"commit":{"message":"set autoGenerated=True and added product, reactant numbers","shortMessageHtmlLink":"set autoGenerated=True and added product, reactant numbers"}},{"before":"4dc40f43f96640d154d351f0ad111cd3a2edd252","after":null,"ref":"refs/heads/FilterCritPerReactFamily_database_Py3","pushedAt":"2024-08-14T17:47:03.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"JacksonBurns","name":"Jackson Burns","path":"/JacksonBurns","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33505528?s=80&v=4"}},{"before":"df2c61f8584891ca96e609dd139abe78dfc2b042","after":"7fc180edd787944900854a86666540505b846eda","ref":"refs/heads/arom_lib","pushedAt":"2024-08-14T17:43:45.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"JacksonBurns","name":"Jackson Burns","path":"/JacksonBurns","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33505528?s=80&v=4"},"commit":{"message":"Add thermo of four species related to Pyracyclene formation\n\nThermo data are calculated at the CBS-QB3 level with 1D-HR","shortMessageHtmlLink":"Add thermo of four species related to Pyracyclene formation"}},{"before":"d8aab703a271c856985c563ad6e56a64de8b36ce","after":"e7c6745ab70c075080cb6c776d8cec69440bf9c6","ref":"refs/heads/RMGC2","pushedAt":"2024-08-14T17:37:51.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"JacksonBurns","name":"Jackson Burns","path":"/JacksonBurns","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33505528?s=80&v=4"},"commit":{"message":"Creation of an RMGC2 seed mechanism\n\nBased from Klippenstein_Glarborg2016 adding in rates from C2H4+O_Klipp2017 and other individual important rates","shortMessageHtmlLink":"Creation of an RMGC2 seed mechanism"}},{"before":"2c71f58bd39cd2a8488cddba255fa01244e0108f","after":null,"ref":"refs/heads/fix_training_degeneracy","pushedAt":"2024-08-14T17:36:31.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"JacksonBurns","name":"Jackson Burns","path":"/JacksonBurns","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33505528?s=80&v=4"}},{"before":"934271331dca8b32ad7eb05fb2dc4ab30a1fb290","after":null,"ref":"refs/heads/indexRewrite","pushedAt":"2024-08-14T17:34:33.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"JacksonBurns","name":"Jackson Burns","path":"/JacksonBurns","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33505528?s=80&v=4"}},{"before":"36abdff451d2d50593b57bebaa3999bd7de40945","after":"f62a6b3a4fa20b9db464f95bdadb48ffe39bd68b","ref":"refs/heads/furan_derivatives","pushedAt":"2024-08-13T18:01:56.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"NellyMitnik","name":null,"path":"/NellyMitnik","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/89458314?s=80&v=4"},"commit":{"message":"added xmr_2057p_ga1 thermo spcs","shortMessageHtmlLink":"added xmr_2057p_ga1 thermo spcs"}},{"before":"780d9f68c2fdd0376e74baab14d2bb5ab790f368","after":"36abdff451d2d50593b57bebaa3999bd7de40945","ref":"refs/heads/furan_derivatives","pushedAt":"2024-08-13T12:04:57.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"NellyMitnik","name":null,"path":"/NellyMitnik","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/89458314?s=80&v=4"},"commit":{"message":"added rxn 26 2ffoh h_abs","shortMessageHtmlLink":"added rxn 26 2ffoh h_abs"}},{"before":"b0fe8ad5cb752a5de8ed2736824e158cd8460b49","after":"780d9f68c2fdd0376e74baab14d2bb5ab790f368","ref":"refs/heads/furan_derivatives","pushedAt":"2024-08-13T07:24:53.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"NellyMitnik","name":null,"path":"/NellyMitnik","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/89458314?s=80&v=4"},"commit":{"message":"added H_abs 2ffoh rxn 5","shortMessageHtmlLink":"added H_abs 2ffoh rxn 5"}},{"before":"aa83b984a260d401829f986af1a6cef7d0ee1884","after":"b0fe8ad5cb752a5de8ed2736824e158cd8460b49","ref":"refs/heads/furan_derivatives","pushedAt":"2024-08-13T07:06:56.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"NellyMitnik","name":null,"path":"/NellyMitnik","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/89458314?s=80&v=4"},"commit":{"message":"added 3 rxns for 2FFOH","shortMessageHtmlLink":"added 3 rxns for 2FFOH"}},{"before":"4668c21d76749da3b5c8ce346021e0ddb53d6f08","after":"aa83b984a260d401829f986af1a6cef7d0ee1884","ref":"refs/heads/furan_derivatives","pushedAt":"2024-08-12T20:09:59.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"NellyMitnik","name":null,"path":"/NellyMitnik","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/89458314?s=80&v=4"},"commit":{"message":"added RXN24 and its spcs","shortMessageHtmlLink":"added RXN24 and its spcs"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"Y3Vyc29yOnYyOpK7MjAyNC0wOS0yNFQyMjoyNzozOC4wMDAwMDBazwAAAAS_rhMR","startCursor":"Y3Vyc29yOnYyOpK7MjAyNC0wOS0yNFQyMjoyNzozOC4wMDAwMDBazwAAAAS_rhMR","endCursor":"Y3Vyc29yOnYyOpK7MjAyNC0wOC0xMlQyMDowOTo1OS4wMDAwMDBazwAAAASYf8Bj"}},"title":"Activity · ReactionMechanismGenerator/RMG-database"}