{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":172423631,"defaultBranch":"master","name":"QUICK","ownerLogin":"merzlab","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2019-02-25T02:56:48.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/47869890?v=4","public":true,"private":false,"isOrgOwned":false},"refInfo":{"name":"","listCacheKey":"v0:1715899497.0","currentOid":""},"activityList":{"items":[{"before":"08da5f8aabddde2a119dda6a60ff8879d6f7167e","after":"a86996feedcc0531f207dac535a73ec563054942","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-05-23T04:45:43.000Z","pushType":"push","commitsCount":4,"pusher":{"login":"vtripath65","name":"Vikrant Tripathy","path":"/vtripath65","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/54325954?s=80&v=4"},"commit":{"message":"Fixing the code hanging issue with MPI in oeprop\n\nAll the MPI processes were trying open a file and write\nin oeproperties module. This resulted in MPI calculations\nto not terminate normally. This issue is fixed.\nNote: ESP calculations on grid points are still serial","shortMessageHtmlLink":"Fixing the code hanging issue with MPI in oeprop"}},{"before":"4b26e05c8faf2f584637b5d6655b66ae44d6ea59","after":"5b95c3c14243882a3ee5e340b89243fd1b361e88","ref":"refs/heads/dnc-development","pushedAt":"2024-05-22T16:37:44.000Z","pushType":"push","commitsCount":3,"pusher":{"login":"akhilshajan","name":"Akhil Shajan","path":"/akhilshajan","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/87541836?s=80&v=4"},"commit":{"message":"Changed mpi call to be consistent with others","shortMessageHtmlLink":"Changed mpi call to be consistent with others"}},{"before":"09ec5d2965a0b1f0a834caf6abca042248d85a47","after":"08da5f8aabddde2a119dda6a60ff8879d6f7167e","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-05-16T23:14:07.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"-","shortMessageHtmlLink":"-"}},{"before":"17ff415eb4950a928e87a5169f1bdf6bed7bfd50","after":"09ec5d2965a0b1f0a834caf6abca042248d85a47","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-05-16T23:09:14.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"Added some comments and minor changes from esp-dev branch","shortMessageHtmlLink":"Added some comments and minor changes from esp-dev branch"}},{"before":"17ff415eb4950a928e87a5169f1bdf6bed7bfd50","after":null,"ref":"refs/heads/vt_mpi-dev","pushedAt":"2024-05-16T22:44:57.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"}},{"before":null,"after":"17ff415eb4950a928e87a5169f1bdf6bed7bfd50","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-05-16T22:44:41.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"Merge pull request #371 from vtripath65/esp_mpi_parallel\n\nNew default branch: \r\nESP works in the MPI code. SCF is MPI parallelized, ESP part is not yet.\r\nAdditionally, cleaned up the oeproperties module by removing allmods and implicit\r\nvariable definitions.","shortMessageHtmlLink":"Merge pull request #371 from vtripath65/esp_mpi_parallel"}},{"before":"c6955ab61e2d92ef29a20b812dda9f02a4013774","after":null,"ref":"refs/heads/esp_mpi-dev","pushedAt":"2024-05-15T23:46:36.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"}},{"before":null,"after":"c6955ab61e2d92ef29a20b812dda9f02a4013774","ref":"refs/heads/esp_mpi-dev","pushedAt":"2024-05-15T23:46:20.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"further cleanup for clarity, comments, and V.T. removal of use allmod","shortMessageHtmlLink":"further cleanup for clarity, comments, and V.T. removal of use allmod"}},{"before":"c6955ab61e2d92ef29a20b812dda9f02a4013774","after":null,"ref":"refs/heads/esp_mpi-dev","pushedAt":"2024-05-15T23:46:12.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"}},{"before":"1d6cf2d4e0b19a98043fd72bf72d711792f233c9","after":"17ff415eb4950a928e87a5169f1bdf6bed7bfd50","ref":"refs/heads/vt_mpi-dev","pushedAt":"2024-05-15T23:01:02.000Z","pushType":"pr_merge","commitsCount":28,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"Merge pull request #371 from vtripath65/esp_mpi_parallel\n\nNew default branch: \r\nESP works in the MPI code. SCF is MPI parallelized, ESP part is not yet.\r\nAdditionally, cleaned up the oeproperties module by removing allmods and implicit\r\nvariable definitions.","shortMessageHtmlLink":"Merge pull request #371 from vtripath65/esp_mpi_parallel"}},{"before":null,"after":"1d6cf2d4e0b19a98043fd72bf72d711792f233c9","ref":"refs/heads/vt_mpi-dev","pushedAt":"2024-05-15T21:56:43.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"Merge pull request #365 from ohearnk/quick-doc-updates-QUICK-24.03-release-2\n\nDocumentation updates for post QUICK-24.03 release","shortMessageHtmlLink":"Merge pull request #365 from ohearnk/quick-doc-updates-QUICK-24.03-re…"}},{"before":null,"after":"c6955ab61e2d92ef29a20b812dda9f02a4013774","ref":"refs/heads/efield-dev","pushedAt":"2024-05-15T20:56:16.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"further cleanup for clarity, comments, and V.T. removal of use allmod","shortMessageHtmlLink":"further cleanup for clarity, comments, and V.T. removal of use allmod"}},{"before":"c6955ab61e2d92ef29a20b812dda9f02a4013774","after":null,"ref":"refs/heads/esp_development","pushedAt":"2024-05-15T00:04:19.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"}},{"before":null,"after":"c6955ab61e2d92ef29a20b812dda9f02a4013774","ref":"refs/heads/esp_mpi-dev","pushedAt":"2024-05-14T23:41:20.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"further cleanup for clarity, comments, and V.T. removal of use allmod","shortMessageHtmlLink":"further cleanup for clarity, comments, and V.T. removal of use allmod"}},{"before":"665fb8ab0fda29a4bf8129ee16f36b0b061d391a","after":"c6955ab61e2d92ef29a20b812dda9f02a4013774","ref":"refs/heads/esp_development","pushedAt":"2024-05-14T23:35:28.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"further cleanup for clarity, comments, and V.T. removal of use allmod","shortMessageHtmlLink":"further cleanup for clarity, comments, and V.T. removal of use allmod"}},{"before":"520203eb1c05793ce9bda85c56cdaa00e1b1f0e5","after":"4b26e05c8faf2f584637b5d6655b66ae44d6ea59","ref":"refs/heads/dnc-development","pushedAt":"2024-05-07T20:19:01.000Z","pushType":"push","commitsCount":159,"pusher":{"login":"akhilshajan","name":"Akhil Shajan","path":"/akhilshajan","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/87541836?s=80&v=4"},"commit":{"message":"Removed unwanted files from rebase","shortMessageHtmlLink":"Removed unwanted files from rebase"}},{"before":"8bcb3100cb528295b9dc346586db1f78f72491a6","after":"520203eb1c05793ce9bda85c56cdaa00e1b1f0e5","ref":"refs/heads/dnc-development","pushedAt":"2024-05-07T16:22:12.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"akhilshajan","name":"Akhil Shajan","path":"/akhilshajan","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/87541836?s=80&v=4"},"commit":{"message":"Print QCint in binary files","shortMessageHtmlLink":"Print QCint in binary files"}},{"before":"6ffda19d9228f14c390327a11417100d4d176af8","after":"665fb8ab0fda29a4bf8129ee16f36b0b061d391a","ref":"refs/heads/esp_development","pushedAt":"2024-05-03T22:45:20.000Z","pushType":"pr_merge","commitsCount":13,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"Merge pull request #367 from merzlab/master\n\nMerge master into esp_development","shortMessageHtmlLink":"Merge pull request #367 from merzlab/master"}},{"before":"a3faa60b483d7677a26031aeb270e684255f8362","after":"6ffda19d9228f14c390327a11417100d4d176af8","ref":"refs/heads/esp_development","pushedAt":"2024-05-02T22:44:21.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"Some cleaning; ESP_GRID now efficient","shortMessageHtmlLink":"Some cleaning; ESP_GRID now efficient"}},{"before":"af24394d0d40e90f785f12b13949d66b845f3670","after":"a3faa60b483d7677a26031aeb270e684255f8362","ref":"refs/heads/esp_development","pushedAt":"2024-05-02T19:59:31.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"Fixed output file name, now saves data to inputfilename.prop","shortMessageHtmlLink":"Fixed output file name, now saves data to inputfilename.prop"}},{"before":"5534d5ba23a3272383081b62d1d7b82b787e3f2a","after":"af24394d0d40e90f785f12b13949d66b845f3670","ref":"refs/heads/esp_development","pushedAt":"2024-04-30T23:21:59.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"Added INPUT options for ESP_GRID calculations.\n\nESP_GRID : DEFAULT, will print X, Y, Z, and ESP_TOTAL to file, all in atomic units.\n\nESP_GRID ESP_PRINT_TERMS : Requires ESP_GRID and ESP_PRINT_TERMS flags.\n Prints ESP_NUC, ESP_ELEC, and ESP_TOTAL.\n\nESP_GRID EXTGRID_ANGSTROM : Same as ESP_GRID except X, Y, and Z are converted to Angstrom,\n i.e. as provided in input file.","shortMessageHtmlLink":"Added INPUT options for ESP_GRID calculations."}},{"before":"dceff37d3a09d9457ef5030d0451a2e26b0f5876","after":"1d6cf2d4e0b19a98043fd72bf72d711792f233c9","ref":"refs/heads/master","pushedAt":"2024-04-28T22:25:40.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"agoetz","name":"Andreas Goetz","path":"/agoetz","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1117673?s=80&v=4"},"commit":{"message":"Merge pull request #365 from ohearnk/quick-doc-updates-QUICK-24.03-release-2\n\nDocumentation updates for post QUICK-24.03 release","shortMessageHtmlLink":"Merge pull request #365 from ohearnk/quick-doc-updates-QUICK-24.03-re…"}},{"before":"0f819617dedf08a5e2084514a60d52c18a341578","after":"dceff37d3a09d9457ef5030d0451a2e26b0f5876","ref":"refs/heads/master","pushedAt":"2024-04-25T20:14:14.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"merzlab","name":null,"path":"/merzlab","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/47869890?s=80&v=4"},"commit":{"message":"Merge pull request #364 from agoetz/awg-update-README\n\nUpdate README.md","shortMessageHtmlLink":"Merge pull request #364 from agoetz/awg-update-README"}},{"before":"83e75385c0bd630ac56443a5744febfb7074acbf","after":"0f819617dedf08a5e2084514a60d52c18a341578","ref":"refs/heads/master","pushedAt":"2024-04-25T19:44:34.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"agoetz","name":"Andreas Goetz","path":"/agoetz","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1117673?s=80&v=4"},"commit":{"message":"Merge pull request #363 from ohearnk/quick-doc-updates-QUICK-24.03-release\n\nDocumentation updates for QUICK-24.03 release","shortMessageHtmlLink":"Merge pull request #363 from ohearnk/quick-doc-updates-QUICK-24.03-re…"}},{"before":"0cbf8f64750a9d95f22610231c91db2cc5f1a817","after":"83e75385c0bd630ac56443a5744febfb7074acbf","ref":"refs/heads/master","pushedAt":"2024-04-19T04:58:32.000Z","pushType":"pr_merge","commitsCount":4,"pusher":{"login":"merzlab","name":null,"path":"/merzlab","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/47869890?s=80&v=4"},"commit":{"message":"Merge pull request #362 from ohearnk/ambertools-2024-build-system-updates\n\nBuild system updates from AmberTools 2024 RC","shortMessageHtmlLink":"Merge pull request #362 from ohearnk/ambertools-2024-build-system-upd…"}},{"before":"52127dbdc076111c406fd3bd4f0c899ca0452b03","after":"0cbf8f64750a9d95f22610231c91db2cc5f1a817","ref":"refs/heads/master","pushedAt":"2024-04-17T22:35:36.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"agoetz","name":"Andreas Goetz","path":"/agoetz","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1117673?s=80&v=4"},"commit":{"message":"Merge pull request #359 from tjgiese/fix-cew-print\n\nioutfile intent in rather than intent out","shortMessageHtmlLink":"Merge pull request #359 from tjgiese/fix-cew-print"}},{"before":"52127dbdc076111c406fd3bd4f0c899ca0452b03","after":"5534d5ba23a3272383081b62d1d7b82b787e3f2a","ref":"refs/heads/esp_development","pushedAt":"2024-04-10T21:53:01.000Z","pushType":"pr_merge","commitsCount":17,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"Merge pull request #360 from etiennepalos/esp_implementation\n\nInitial implementation of ESP_GRID / serial version","shortMessageHtmlLink":"Merge pull request #360 from etiennepalos/esp_implementation"}},{"before":null,"after":"52127dbdc076111c406fd3bd4f0c899ca0452b03","ref":"refs/heads/esp_development","pushedAt":"2024-04-10T20:06:50.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"etiennepalos","name":"Etienne Palos","path":"/etiennepalos","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/33858083?s=80&v=4"},"commit":{"message":"Merge pull request #357 from agoetz/fix-reading-heavy-elements\n\nAWG - fix reading heavy elements","shortMessageHtmlLink":"Merge pull request #357 from agoetz/fix-reading-heavy-elements"}},{"before":"3188d58823dda2b61d16a49799cb3a0130d921c0","after":"52127dbdc076111c406fd3bd4f0c899ca0452b03","ref":"refs/heads/master","pushedAt":"2024-04-08T19:24:14.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"agoetz","name":"Andreas Goetz","path":"/agoetz","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1117673?s=80&v=4"},"commit":{"message":"Merge pull request #357 from agoetz/fix-reading-heavy-elements\n\nAWG - fix reading heavy elements","shortMessageHtmlLink":"Merge pull request #357 from agoetz/fix-reading-heavy-elements"}},{"before":"de9a47df3de5cc9e307ea2fdeb632a74d6831708","after":null,"ref":"refs/heads/353-update-amber-test-scriptreference-test-output-files","pushedAt":"2024-03-23T13:45:43.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"merzlab","name":null,"path":"/merzlab","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/47869890?s=80&v=4"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"djE6ks8AAAAEUZneYgA","startCursor":null,"endCursor":null}},"title":"Activity · merzlab/QUICK"}