{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":14987727,"defaultBranch":"master","name":"fftool","ownerLogin":"paduagroup","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2013-12-06T16:32:18.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/83291968?v=4","public":true,"private":false,"isOrgOwned":true},"refInfo":{"name":"","listCacheKey":"v0:1618841769.7872262","currentOid":""},"activityList":{"items":[{"before":"f6aedd88f4e814eb60f1ee3d25306ace5a3862f6","after":"c81680818f1ef4b1f27de39d8c52d69ca211f6a0","ref":"refs/heads/master","pushedAt":"2024-02-20T16:06:50.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Code cleanup, remove writeaddbonds())","shortMessageHtmlLink":"Code cleanup, remove writeaddbonds())"}},{"before":"7d7fc6158023896725834a81a4b44a124a57ce5d","after":"f6aedd88f4e814eb60f1ee3d25306ace5a3862f6","ref":"refs/heads/master","pushedAt":"2024-02-20T15:25:35.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Code formatting details","shortMessageHtmlLink":"Code formatting details"}},{"before":"744c33fd098e41d921ec27efd62ccb7c33e79543","after":"7d7fc6158023896725834a81a4b44a124a57ce5d","ref":"refs/heads/master","pushedAt":"2024-02-20T15:20:03.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Update fftool (#14)\n\nCreate PDBx/MMCIF topology files for OpenMM","shortMessageHtmlLink":"Update fftool (<a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2144580353\" data-permission-text=\"Title is private\" data-url=\"https://github.com/paduagroup/fftool/issues/14\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/paduagroup/fftool/pull/14/hovercard\" href=\"https://github.com/paduagroup/fftool/pull/14\">#14</a>)"}},{"before":"39f09a05376d70773b7ed80d5ebbc35bc92e9db2","after":"744c33fd098e41d921ec27efd62ccb7c33e79543","ref":"refs/heads/master","pushedAt":"2024-02-20T15:14:23.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Updated README","shortMessageHtmlLink":"Updated README"}},{"before":"6b74a8f66de3eba81021fec644fb1ed6cccd36b4","after":"39f09a05376d70773b7ed80d5ebbc35bc92e9db2","ref":"refs/heads/master","pushedAt":"2024-02-20T09:34:01.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Bug fix in readxml","shortMessageHtmlLink":"Bug fix in readxml"}},{"before":"821fea4f3eaac77fe844833bf01e989bbeaec411","after":"6b74a8f66de3eba81021fec644fb1ed6cccd36b4","ref":"refs/heads/master","pushedAt":"2024-01-18T14:07:02.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Prints max number of molecules allowed in PDB.","shortMessageHtmlLink":"Prints max number of molecules allowed in PDB."}},{"before":"896c358ac426c61a9c0a10253c28e79e5033a65c","after":"821fea4f3eaac77fe844833bf01e989bbeaec411","ref":"refs/heads/master","pushedAt":"2024-01-18T13:35:20.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Just comments","shortMessageHtmlLink":"Just comments"}},{"before":"6b80462e57b1049b098682fdeed28417ed6a49a9","after":"896c358ac426c61a9c0a10253c28e79e5033a65c","ref":"refs/heads/master","pushedAt":"2024-01-11T12:52:33.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Minor bug in xml angle output format","shortMessageHtmlLink":"Minor bug in xml angle output format"}},{"before":"600f2e627fe22e0487f061bf2da9d32714f7c84b","after":"6b80462e57b1049b098682fdeed28417ed6a49a9","ref":"refs/heads/master","pushedAt":"2023-12-03T18:36:09.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Increase precision of some data in field.xml","shortMessageHtmlLink":"Increase precision of some data in field.xml"}},{"before":"f06ee0af0dc622307dea822b0a3dbe0e739756a8","after":"600f2e627fe22e0487f061bf2da9d32714f7c84b","ref":"refs/heads/master","pushedAt":"2023-11-28T10:29:41.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Prints number of atonms in molecules","shortMessageHtmlLink":"Prints number of atonms in molecules"}},{"before":"938fc531519ed34c6d5f7bb76567568ca7634279","after":"f06ee0af0dc622307dea822b0a3dbe0e739756a8","ref":"refs/heads/master","pushedAt":"2023-11-27T15:28:54.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Minor change","shortMessageHtmlLink":"Minor change"}},{"before":"c0316cc4fcb0014f1bb8d9a93e8278c8f3cb6165","after":"938fc531519ed34c6d5f7bb76567568ca7634279","ref":"refs/heads/master","pushedAt":"2023-11-27T15:27:44.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Big fix in finding distances for connectivity","shortMessageHtmlLink":"Big fix in finding distances for connectivity"}},{"before":"1de587ed8f45ba7bd303c399b86034de68e8b465","after":"c0316cc4fcb0014f1bb8d9a93e8278c8f3cb6165","ref":"refs/heads/master","pushedAt":"2023-11-24T16:27:59.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Rename","shortMessageHtmlLink":"Rename"}},{"before":"79f4326c88cd482718134907f5d87eaf29cefbc1","after":"1de587ed8f45ba7bd303c399b86034de68e8b465","ref":"refs/heads/master","pushedAt":"2023-11-24T16:25:49.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Deleted fftojson.py","shortMessageHtmlLink":"Deleted fftojson.py"}},{"before":"ca2779e335cc99819c5f0a227405e9d6959dc585","after":"79f4326c88cd482718134907f5d87eaf29cefbc1","ref":"refs/heads/master","pushedAt":"2023-11-24T16:24:21.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Scripts to convert ff to xml and json","shortMessageHtmlLink":"Scripts to convert ff to xml and json"}},{"before":"9e4e11d44de53a33a4bb539e5155f27fd3caceb7","after":"ca2779e335cc99819c5f0a227405e9d6959dc585","ref":"refs/heads/master","pushedAt":"2023-11-24T16:23:50.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Can read force field in xml","shortMessageHtmlLink":"Can read force field in xml"}},{"before":"79fb6174c41ce8db316a0619665d27019f6315d1","after":"9e4e11d44de53a33a4bb539e5155f27fd3caceb7","ref":"refs/heads/master","pushedAt":"2023-11-13T14:15:52.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Use base 32 in unique atom names for large residues","shortMessageHtmlLink":"Use base 32 in unique atom names for large residues"}},{"before":"c361b90108f625d8703394f4dc5f43317e47a3a5","after":"79fb6174c41ce8db316a0619665d27019f6315d1","ref":"refs/heads/master","pushedAt":"2023-11-11T13:56:12.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Uses xml indent function from library","shortMessageHtmlLink":"Uses xml indent function from library"}},{"before":"e090fbca4b3acbca90a597ba21b5b324b171408d","after":"c361b90108f625d8703394f4dc5f43317e47a3a5","ref":"refs/heads/master","pushedAt":"2023-11-10T21:07:50.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Fixed bug with atom names (Cl vs C)","shortMessageHtmlLink":"Fixed bug with atom names (Cl vs C)"}},{"before":"93e118c360af474117a1ab1e42da51ba843c290e","after":"e090fbca4b3acbca90a597ba21b5b324b171408d","ref":"refs/heads/master","pushedAt":"2023-11-04T17:52:40.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Reduced the number of bonded terms in xml","shortMessageHtmlLink":"Reduced the number of bonded terms in xml"}},{"before":"7ddeaa93a9e995e28e26d0f34d3c1c020e2c6c1d","after":"93e118c360af474117a1ab1e42da51ba843c290e","ref":"refs/heads/master","pushedAt":"2023-11-02T22:42:34.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Consistent xml files with and without --types","shortMessageHtmlLink":"Consistent xml files with and without --types"}},{"before":"e33f548b665bbd6eee259d0fc49c2dc427297baf","after":"7ddeaa93a9e995e28e26d0f34d3c1c020e2c6c1d","ref":"refs/heads/master","pushedAt":"2023-11-02T16:01:24.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Fixes in xml with NB types. CHARMM output no good.","shortMessageHtmlLink":"Fixes in xml with NB types. CHARMM output no good."}},{"before":"a0b148f7bf21df967547e07ad9685cf083a82f96","after":"e33f548b665bbd6eee259d0fc49c2dc427297baf","ref":"refs/heads/master","pushedAt":"2023-11-01T22:31:53.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Atom class in xml from non-bonded types","shortMessageHtmlLink":"Atom class in xml from non-bonded types"}},{"before":"b24864f61fa54e1e900f06bc72f79e4786c2120d","after":"a0b148f7bf21df967547e07ad9685cf083a82f96","ref":"refs/heads/master","pushedAt":"2023-10-31T14:18:24.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Separated writexmltypes from writexml","shortMessageHtmlLink":"Separated writexmltypes from writexml"}},{"before":"da021d925f2f85539f7cdedd6ad6c2598203052a","after":"b24864f61fa54e1e900f06bc72f79e4786c2120d","ref":"refs/heads/master","pushedAt":"2023-10-26T20:53:26.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Minor changes","shortMessageHtmlLink":"Minor changes"}},{"before":"a6c122c41d0da811a9aefa244da83110c4529e6b","after":"da021d925f2f85539f7cdedd6ad6c2598203052a","ref":"refs/heads/master","pushedAt":"2023-10-25T15:53:26.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Faster bonds across PBC","shortMessageHtmlLink":"Faster bonds across PBC"}},{"before":"560533041c1187db49cd492d6ad60fd3fd1b0f5c","after":"a6c122c41d0da811a9aefa244da83110c4529e6b","ref":"refs/heads/master","pushedAt":"2023-10-18T09:26:53.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Prints all pairs to pair.lmp in all cases","shortMessageHtmlLink":"Prints all pairs to pair.lmp in all cases"}},{"before":"c31b8ee21f07f410d1af180a4f819ae7f747141b","after":"560533041c1187db49cd492d6ad60fd3fd1b0f5c","ref":"refs/heads/master","pushedAt":"2023-09-14T09:57:27.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Update README","shortMessageHtmlLink":"Update README"}},{"before":"0a166475630f4d6595ecb0bfee6be086e3141df0","after":"c31b8ee21f07f410d1af180a4f819ae7f747141b","ref":"refs/heads/master","pushedAt":"2023-07-19T13:15:56.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Added copper","shortMessageHtmlLink":"Added copper"}},{"before":"6238b1bf0ba869ac3596dd8c7f7ff97d947d6791","after":"0a166475630f4d6595ecb0bfee6be086e3141df0","ref":"refs/heads/master","pushedAt":"2023-03-10T14:56:05.168Z","pushType":"push","commitsCount":1,"pusher":{"login":"agiliopadua","name":"Agilio Padua","path":"/agiliopadua","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1333348?s=80&v=4"},"commit":{"message":"Added EC and PC to oplsaa.ff","shortMessageHtmlLink":"Added EC and PC to oplsaa.ff"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"startCursor":"Y3Vyc29yOnYyOpK7MjAyNC0wMi0yMFQxNjowNjo1MC4wMDAwMDBazwAAAAP_4qur","endCursor":"Y3Vyc29yOnYyOpK7MjAyMy0wMy0xMFQxNDo1NjowNS4xNjgzMTZazwAAAAMAyylm"}},"title":"Activity · paduagroup/fftool"}