{"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":"b6ec8ac87781b046304ad8966c28b5e2c32c4147","after":"149247609fc19165850900ff99b749fa50cac2e1","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-21T01:12:08.000Z","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 EFIELD_1PDM IN HEADER FILE\n\nfixed efield_1pdm\nneeds MPI and OEI-nuc gradients need testing","shortMessageHtmlLink":"FIXED EFIELD_1PDM IN HEADER FILE"}},{"before":"fa2de1810d9f28761b7be512a766b3c2eb47702d","after":"b6ec8ac87781b046304ad8966c28b5e2c32c4147","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-19T06:53:49.000Z","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":"attrashellopt / efield_shell_pair moved to attrashellopt.fh","shortMessageHtmlLink":"attrashellopt / efield_shell_pair moved to attrashellopt.fh"}},{"before":"e65c5b77d6a27bab6606a82dc3491e8adfe16df6","after":"fa2de1810d9f28761b7be512a766b3c2eb47702d","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-18T22:08:08.000Z","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":"progress on MPI for Efield, not tested / needs work","shortMessageHtmlLink":"progress on MPI for Efield, not tested / needs work"}},{"before":"5cb732a3a8c711df3216927ec6362336f8c2a16d","after":"e65c5b77d6a27bab6606a82dc3491e8adfe16df6","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-18T20:24:06.000Z","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":"file.efield now prints XYZ, minor change to ifdef OEPROP is now OEPROPESP","shortMessageHtmlLink":"file.efield now prints XYZ, minor change to ifdef OEPROP is now OEPRO…"}},{"before":"b2eb6d9a4cfac5ac4b79f8ede6c13b96bca7527c","after":"5cb732a3a8c711df3216927ec6362336f8c2a16d","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-18T01:59:58.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"vtripath65","name":"Vikrant Tripathy","path":"/vtripath65","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/54325954?s=80&v=4"},"commit":{"message":"some cleanup and commenting of code in oeproperties","shortMessageHtmlLink":"some cleanup and commenting of code in oeproperties"}},{"before":"2245501d91e2506f86e654bdc5eaba546f8db852","after":"b2eb6d9a4cfac5ac4b79f8ede6c13b96bca7527c","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-14T19:59:55.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"vtripath65","name":"Vikrant Tripathy","path":"/vtripath65","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/54325954?s=80&v=4"},"commit":{"message":"fixed merge conflict","shortMessageHtmlLink":"fixed merge conflict"}},{"before":"b77aaeebdf6c9cda4c803164bda137b1744000f4","after":"2245501d91e2506f86e654bdc5eaba546f8db852","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-13T01:52:57.000Z","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 new file support for ESP_GRID and EFIELD_GRID calculations, data now writes to yourfile.esp and yourfile.efield, respectively. Useful for e.g. EFIELD 'only' calculations, such that yourfile.efield has X, Y, Z, Ex, Ey, Ez in a.u. Tested.","shortMessageHtmlLink":"Added new file support for ESP_GRID and EFIELD_GRID calculations, dat…"}},{"before":"0045ed9688e4fa12295d8175d5ef349a75ddffab","after":"b77aaeebdf6c9cda4c803164bda137b1744000f4","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-12T23:54:43.000Z","pushType":"push","commitsCount":3,"pusher":{"login":"vtripath65","name":"Vikrant Tripathy","path":"/vtripath65","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/54325954?s=80&v=4"},"commit":{"message":"Merge branch 'esp_mpi_parallel' into oeproperties-dev\n\nFixed the memory allocation issue of nuclear part\nof EField.","shortMessageHtmlLink":"Merge branch 'esp_mpi_parallel' into oeproperties-dev"}},{"before":"3da79fb5f95a1ca2ae052d18794bceae86c5d97f","after":"0045ed9688e4fa12295d8175d5ef349a75ddffab","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-11T08:54:07.000Z","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":"Modifications for EFEILD: added timer for efield. Reactivated ESP in main, but ESP is no longer calculated by default if EFIELD is true (now associated to keyword EFIELD_ESP)... prep work for EFIELD_electronic","shortMessageHtmlLink":"Modifications for EFEILD: added timer for efield. Reactivated ESP in …"}},{"before":"b4f290b0220f2083d711aa4c15865fdef231b06a","after":"3da79fb5f95a1ca2ae052d18794bceae86c5d97f","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-11T01:46:46.000Z","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":"finished default implementation of EFIELD_NUC (v1), prints Ex, Ey, Ez to PROP file; no timer or advanced options yet","shortMessageHtmlLink":"finished default implementation of EFIELD_NUC (v1), prints Ex, Ey, Ez…"}},{"before":"ad42ae789069feb046dbc90a85e76279d370343b","after":"b4f290b0220f2083d711aa4c15865fdef231b06a","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-11T00:25:36.000Z","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":"Initial implementation of efield_nuc , experimental stage","shortMessageHtmlLink":"Initial implementation of efield_nuc , experimental stage"}},{"before":"882c42773656afc732b5e0296b27db511b772258","after":"ad42ae789069feb046dbc90a85e76279d370343b","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-05T06:00:20.000Z","pushType":"push","commitsCount":6,"pusher":{"login":"vtripath65","name":"Vikrant Tripathy","path":"/vtripath65","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/54325954?s=80&v=4"},"commit":{"message":"solved merge confict. Added headed files attrashell and nuclearattra","shortMessageHtmlLink":"solved merge confict. Added headed files attrashell and nuclearattra"}},{"before":"52519fd3c85093552617852f840ef5371fa67503","after":"882c42773656afc732b5e0296b27db511b772258","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-06-05T00:11:40.000Z","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 simplified esp_1pdm for unrestricted","shortMessageHtmlLink":"added simplified esp_1pdm for unrestricted"}},{"before":"9d40b9542226b56672111a0ae786618df44bdee8","after":"52519fd3c85093552617852f840ef5371fa67503","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-05-24T21:23:54.000Z","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 ifedf statements, removed some (old) comments/lines","shortMessageHtmlLink":"added some ifedf statements, removed some (old) comments/lines"}},{"before":"acecc5593d66cc8523fb4803ffb5159ea8c64025","after":"9d40b9542226b56672111a0ae786618df44bdee8","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-05-24T03:30:47.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"vtripath65","name":"Vikrant Tripathy","path":"/vtripath65","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/54325954?s=80&v=4"},"commit":{"message":"fixing make build error due to long line","shortMessageHtmlLink":"fixing make build error due to long line"}},{"before":"a86996feedcc0531f207dac535a73ec563054942","after":"acecc5593d66cc8523fb4803ffb5159ea8c64025","ref":"refs/heads/oeproperties-dev","pushedAt":"2024-05-23T20:05:21.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"vtripath65","name":"Vikrant Tripathy","path":"/vtripath65","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/54325954?s=80&v=4"},"commit":{"message":"First working version of MPI is oeproperties\n\nelectronic ESP at external points is now MPI\nparallelized over basis functions!!","shortMessageHtmlLink":"First working version of MPI is oeproperties"}},{"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 <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2298912810\" data-permission-text=\"Title is private\" data-url=\"https://github.com/merzlab/QUICK/issues/371\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/merzlab/QUICK/pull/371/hovercard\" href=\"https://github.com/merzlab/QUICK/pull/371\">#371</a> 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 <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2298912810\" data-permission-text=\"Title is private\" data-url=\"https://github.com/merzlab/QUICK/issues/371\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/merzlab/QUICK/pull/371/hovercard\" href=\"https://github.com/merzlab/QUICK/pull/371\">#371</a> 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 <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"2265815807\" data-permission-text=\"Title is private\" data-url=\"https://github.com/merzlab/QUICK/issues/365\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/merzlab/QUICK/pull/365/hovercard\" href=\"https://github.com/merzlab/QUICK/pull/365\">#365</a> 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"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"djE6ks8AAAAEaxyCdgA","startCursor":null,"endCursor":null}},"title":"Activity · merzlab/QUICK"}