{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":702597135,"defaultBranch":"main","name":"Water-Dynamics-MD","ownerLogin":"andrewsb8","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2023-10-09T16:04:43.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/30535641?v=4","public":true,"private":false,"isOrgOwned":false},"refInfo":{"name":"","listCacheKey":"v0:1696867484.201469","currentOid":""},"activityList":{"items":[{"before":"b1983aac4ede66e1af259f57b9e5c295d52dea7e","after":"fc7afc8439853b282948702782038dcd8c32de8b","ref":"refs/heads/main","pushedAt":"2023-12-15T15:44:42.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"workaround for cudatoolkit pin found [here](https://github.com/conda-incubator/condacolab/issues/60)","shortMessageHtmlLink":"workaround for cudatoolkit pin found [here](conda-incubator/condacola…"}},{"before":"34963eaa0c31658144e2c285366b27c81de1cb1f","after":"b1983aac4ede66e1af259f57b9e5c295d52dea7e","ref":"refs/heads/main","pushedAt":"2023-11-30T17:43:24.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"update units in energy minimization for OpenMM 8.1","shortMessageHtmlLink":"update units in energy minimization for OpenMM 8.1"}},{"before":"a5e7be660925b6860eb33c32fb86234ca789bebf","after":"34963eaa0c31658144e2c285366b27c81de1cb1f","ref":"refs/heads/main","pushedAt":"2023-11-20T16:09:39.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"edit README, add final project document","shortMessageHtmlLink":"edit README, add final project document"}},{"before":"191c1c5a00e377b97b806f80ffd12da54ab51307","after":"a5e7be660925b6860eb33c32fb86234ca789bebf","ref":"refs/heads/main","pushedAt":"2023-11-20T15:59:13.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"fixed water visualization and added phase transition plots","shortMessageHtmlLink":"fixed water visualization and added phase transition plots"}},{"before":"1706f044a246597a4d280b4c4dab709cf0bfdf87","after":"191c1c5a00e377b97b806f80ffd12da54ab51307","ref":"refs/heads/main","pushedAt":"2023-11-10T15:15:05.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"added path to description for clarity","shortMessageHtmlLink":"added path to description for clarity"}},{"before":"392c12ea45a5480a59ecbcffe0beea6f44c06440","after":"1706f044a246597a4d280b4c4dab709cf0bfdf87","ref":"refs/heads/main","pushedAt":"2023-11-10T15:02:50.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"split up tip4p2005 sim into more cells and added comment","shortMessageHtmlLink":"split up tip4p2005 sim into more cells and added comment"}},{"before":"a610516e008faea15f0abf06ccb82c997443233c","after":"392c12ea45a5480a59ecbcffe0beea6f44c06440","ref":"refs/heads/main","pushedAt":"2023-11-10T01:30:49.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"making notes and ranges for analysis","shortMessageHtmlLink":"making notes and ranges for analysis"}},{"before":"f6f2b67d1479f994a83f43123a7564054adedcba","after":"a610516e008faea15f0abf06ccb82c997443233c","ref":"refs/heads/main","pushedAt":"2023-11-09T23:05:43.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"tip4p2005 does not have charges on oxygen. removed the rearrangement of charges in the array added to mdanalysis universe","shortMessageHtmlLink":"tip4p2005 does not have charges on oxygen. removed the rearrangement …"}},{"before":"9a50175c9735828673e188c55067e15d9e1915c7","after":"f6f2b67d1479f994a83f43123a7564054adedcba","ref":"refs/heads/main","pushedAt":"2023-11-09T22:56:55.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"updated paths in final section, write to trajectory half as often to save space on gdrive","shortMessageHtmlLink":"updated paths in final section, write to trajectory half as often to …"}},{"before":"027a5b8494e430f6d6888602310d4f7451b63174","after":"9a50175c9735828673e188c55067e15d9e1915c7","ref":"refs/heads/main","pushedAt":"2023-11-08T22:38:54.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"added comment with source for code","shortMessageHtmlLink":"added comment with source for code"}},{"before":"545990857a4b02dc319bc21a95b9514a6d1a5cf0","after":"027a5b8494e430f6d6888602310d4f7451b63174","ref":"refs/heads/main","pushedAt":"2023-11-08T22:35:06.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"verified dielectric for tip3p, tip4p2005 simulation runs, added cells for phase transition","shortMessageHtmlLink":"verified dielectric for tip3p, tip4p2005 simulation runs, added cells…"}},{"before":"4479c37496cd1df9b373c01118a13afa40b4ad73","after":"545990857a4b02dc319bc21a95b9514a6d1a5cf0","ref":"refs/heads/main","pushedAt":"2023-11-01T19:35:24.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"added directories to google drive","shortMessageHtmlLink":"added directories to google drive"}},{"before":"15ebd40d5197dcc491334adf2bdf5d3a1761fb57","after":"4479c37496cd1df9b373c01118a13afa40b4ad73","ref":"refs/heads/main","pushedAt":"2023-11-01T19:22:50.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"trying again to add directories","shortMessageHtmlLink":"trying again to add directories"}},{"before":"5ccf73629d3d1dcd872a2a793306bc8d57a73f37","after":"15ebd40d5197dcc491334adf2bdf5d3a1761fb57","ref":"refs/heads/main","pushedAt":"2023-11-01T19:05:36.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"added cell to install condacolab, otherwise conda does not work","shortMessageHtmlLink":"added cell to install condacolab, otherwise conda does not work"}},{"before":"4c141dec37b68fd176f2b9797b9294c6562b8ed5","after":"5ccf73629d3d1dcd872a2a793306bc8d57a73f37","ref":"refs/heads/main","pushedAt":"2023-11-01T18:57:40.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"added to title and refferred to making it rain","shortMessageHtmlLink":"added to title and refferred to making it rain"}},{"before":"49c625471d3451c43546aab6069cd5e83369c9da","after":"4c141dec37b68fd176f2b9797b9294c6562b8ed5","ref":"refs/heads/main","pushedAt":"2023-11-01T18:52:21.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"changed file paths for google drive","shortMessageHtmlLink":"changed file paths for google drive"}},{"before":"997163354291fe492ba31c1f6c3658e0f24ef944","after":"49c625471d3451c43546aab6069cd5e83369c9da","ref":"refs/heads/main","pushedAt":"2023-11-01T18:50:05.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"rename sections to align with document & move some cells","shortMessageHtmlLink":"rename sections to align with document & move some cells"}},{"before":"59c32c20975e405086ce855df85927b7ce5a162b","after":"997163354291fe492ba31c1f6c3658e0f24ef944","ref":"refs/heads/main","pushedAt":"2023-11-01T18:35:14.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"cleanup","shortMessageHtmlLink":"cleanup"}},{"before":"50a3f39da84a0d9b98e440b29a21414e2e9821c8","after":"59c32c20975e405086ce855df85927b7ce5a162b","ref":"refs/heads/main","pushedAt":"2023-10-18T14:28:01.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"added radial distribution function","shortMessageHtmlLink":"added radial distribution function"}},{"before":"ab84e820e0e51ea7225a9d1e9ce915bbea3d6e92","after":"50a3f39da84a0d9b98e440b29a21414e2e9821c8","ref":"refs/heads/main","pushedAt":"2023-10-17T22:17:00.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"fixed charges for dielectric calculation of TIP4P/2005. dielectric constant still about a factor of two too low. May need to increase simulation time.","shortMessageHtmlLink":"fixed charges for dielectric calculation of TIP4P/2005. dielectric co…"}},{"before":"88b85256f01eee29fcf6f1819f8423000052f691","after":"ab84e820e0e51ea7225a9d1e9ce915bbea3d6e92","ref":"refs/heads/main","pushedAt":"2023-10-17T21:24:16.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"density works for both TIP3P and TIP4P/2005, dielectric constant is wrong for TIP4P","shortMessageHtmlLink":"density works for both TIP3P and TIP4P/2005, dielectric constant is w…"}},{"before":"42153e95052396faf8df6122bcbd96a80da997ca","after":"88b85256f01eee29fcf6f1819f8423000052f691","ref":"refs/heads/main","pushedAt":"2023-10-17T19:12:21.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"change README","shortMessageHtmlLink":"change README"}},{"before":"0ffaf1482ee002da8f17b3af02512eae19862dfa","after":"42153e95052396faf8df6122bcbd96a80da997ca","ref":"refs/heads/main","pushedAt":"2023-10-17T19:09:16.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"improved some formatting and added more titles","shortMessageHtmlLink":"improved some formatting and added more titles"}},{"before":"596cc498711329d0d7a792fe8f8e4ac7bf11a4d7","after":"0ffaf1482ee002da8f17b3af02512eae19862dfa","ref":"refs/heads/main","pushedAt":"2023-10-17T18:58:59.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"finished temperature plot, need dielectric and to start with phase transition section","shortMessageHtmlLink":"finished temperature plot, need dielectric and to start with phase tr…"}},{"before":"a2f258aea1cc3216c140458fbfe7ab9707491eeb","after":"596cc498711329d0d7a792fe8f8e4ac7bf11a4d7","ref":"refs/heads/main","pushedAt":"2023-10-17T18:11:27.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"fixed equipartition theorem, added file paths","shortMessageHtmlLink":"fixed equipartition theorem, added file paths"}},{"before":"aae4fa778ba41d42fea27d09936e6d7c1a002d35","after":"a2f258aea1cc3216c140458fbfe7ab9707491eeb","ref":"refs/heads/main","pushedAt":"2023-10-17T14:55:40.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"added mass density, need velocity and charge information for temps and dielectric analyses","shortMessageHtmlLink":"added mass density, need velocity and charge information for temps an…"}},{"before":"ba6c2144a3b28cd07910d1325be3d228c2f57e9f","after":"aae4fa778ba41d42fea27d09936e6d7c1a002d35","ref":"refs/heads/main","pushedAt":"2023-10-16T21:12:42.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"visualization started, first sim runs. Next: start analysis of Temp with equipartition","shortMessageHtmlLink":"visualization started, first sim runs. Next: start analysis of Temp w…"}},{"before":"f6d7eac29eb744979c4ed8c979dc67248ccf2449","after":"ba6c2144a3b28cd07910d1325be3d228c2f57e9f","ref":"refs/heads/main","pushedAt":"2023-10-09T18:49:29.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"removed checkpoints","shortMessageHtmlLink":"removed checkpoints"}},{"before":"3003b07588e28082a5d2ca154e1bb1cab0093e88","after":"f6d7eac29eb744979c4ed8c979dc67248ccf2449","ref":"refs/heads/main","pushedAt":"2023-10-09T18:48:18.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"i hate gitignore","shortMessageHtmlLink":"i hate gitignore"}},{"before":"f2d98e752087f7c7764729e5b2371a49af7403a9","after":"3003b07588e28082a5d2ca154e1bb1cab0093e88","ref":"refs/heads/main","pushedAt":"2023-10-09T18:47:36.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"andrewsb8","name":"Brian Andrews","path":"/andrewsb8","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30535641?s=80&v=4"},"commit":{"message":"add .gitignore","shortMessageHtmlLink":"add .gitignore"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"Y3Vyc29yOnYyOpK7MjAyMy0xMi0xNVQxNTo0NDo0Mi4wMDAwMDBazwAAAAPLXi5A","startCursor":"Y3Vyc29yOnYyOpK7MjAyMy0xMi0xNVQxNTo0NDo0Mi4wMDAwMDBazwAAAAPLXi5A","endCursor":"Y3Vyc29yOnYyOpK7MjAyMy0xMC0wOVQxODo0NzozNi4wMDAwMDBazwAAAAOS-RGD"}},"title":"Activity · andrewsb8/Water-Dynamics-MD"}