{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":464511183,"defaultBranch":"main","name":"aiida-skeaf","ownerLogin":"qiaojunfeng","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2022-02-28T14:18:22.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/22841309?v=4","public":true,"private":false,"isOrgOwned":false},"refInfo":{"name":"","listCacheKey":"v0:1685544361.861901","currentOid":""},"activityList":{"items":[{"before":"e3d07bb5760cc0f80603bc2de2eb6d1550de66db","after":"6b5dd905d9dc35d81197269a5ca1fabf4caed101","ref":"refs/heads/main","pushedAt":"2024-06-04T12:41:52.000Z","pushType":"pr_merge","commitsCount":6,"pusher":{"login":"qiaojunfeng","name":"Junfeng Qiao","path":"/qiaojunfeng","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/22841309?s=80&v=4"},"commit":{"message":"Enable increasing tolerance for number of electrons in wan2skeaf.jl\n* When Fermi energy doesn't converge within provided tolerance in number of electrons,\n  increase the tolerance by a factor of 2 up to 0.001.\n* Print a warning if the initial tolerance is higher than 0.001\n* Adjust the parser accordingly, add new output parameters:\n  - `tol_n_electrons_initial`\n  - `tol_n_electrons_final`\n\nFix reference test file for SKEAF input parameters\n * Put `convert_fermi_energy_eV_to_Ry` parameter in the right place","shortMessageHtmlLink":"Enable increasing tolerance for number of electrons in wan2skeaf.jl"}},{"before":"63eda66b3ca3bd4c5ff9e5d242416f05ed00308e","after":"e3d07bb5760cc0f80603bc2de2eb6d1550de66db","ref":"refs/heads/main","pushedAt":"2024-05-27T13:45:59.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"qiaojunfeng","name":"Junfeng Qiao","path":"/qiaojunfeng","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/22841309?s=80&v=4"},"commit":{"message":"Modify parse_frequency function to avoid errors when the SKEAF output file is empty (#7)","shortMessageHtmlLink":"Modify parse_frequency function to avoid errors when the SKEAF output…"}},{"before":"7e2c0a404c68644da5cd69379a2babd027094bcd","after":"63eda66b3ca3bd4c5ff9e5d242416f05ed00308e","ref":"refs/heads/main","pushedAt":"2023-10-06T09:06:37.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"qiaojunfeng","name":"Junfeng Qiao","path":"/qiaojunfeng","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/22841309?s=80&v=4"},"commit":{"message":"Fix scipy.optimize bisect import and a bug in printing the bands to the output file. (#5)","shortMessageHtmlLink":"Fix scipy.optimize bisect import and a bug in printing the bands to t…"}},{"before":"85661b8349b2573e46335160ec256619f3212e76","after":"7e2c0a404c68644da5cd69379a2babd027094bcd","ref":"refs/heads/main","pushedAt":"2023-09-25T14:00:56.000Z","pushType":"pr_merge","commitsCount":11,"pusher":{"login":"qiaojunfeng","name":"Junfeng Qiao","path":"/qiaojunfeng","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/22841309?s=80&v=4"},"commit":{"message":"fix by pre-commit","shortMessageHtmlLink":"fix by pre-commit"}},{"before":"d0624c96a096ba6e712be02c6e58d9f2ffc7b87d","after":"85661b8349b2573e46335160ec256619f3212e76","ref":"refs/heads/main","pushedAt":"2023-06-07T14:52:39.090Z","pushType":"pr_merge","commitsCount":6,"pusher":{"login":"qiaojunfeng","name":"Junfeng Qiao","path":"/qiaojunfeng","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/22841309?s=80&v=4"},"commit":{"message":"removed useless override of __str__ in wan2skeaf","shortMessageHtmlLink":"removed useless override of __str__ in wan2skeaf"}},{"before":"9091cea21afbc6229da185f9ca5713401d03e1ca","after":"7cd0b70bb2bc0054a12a00dfcc20230562e1cfac","ref":"refs/heads/py7zr","pushedAt":"2023-05-31T14:49:43.387Z","pushType":"push","commitsCount":5,"pusher":{"login":"qiaojunfeng","name":"Junfeng Qiao","path":"/qiaojunfeng","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/22841309?s=80&v=4"},"commit":{"message":"Use py7zr to decompress 7z file","shortMessageHtmlLink":"Use py7zr to decompress 7z file"}},{"before":null,"after":"9091cea21afbc6229da185f9ca5713401d03e1ca","ref":"refs/heads/py7zr","pushedAt":"2023-05-31T14:46:01.861Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"qiaojunfeng","name":"Junfeng Qiao","path":"/qiaojunfeng","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/22841309?s=80&v=4"},"commit":{"message":"Fix tests","shortMessageHtmlLink":"Fix tests"}},{"before":"9091cea21afbc6229da185f9ca5713401d03e1ca","after":"d0624c96a096ba6e712be02c6e58d9f2ffc7b87d","ref":"refs/heads/main","pushedAt":"2023-05-04T15:22:15.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"qiaojunfeng","name":"Junfeng Qiao","path":"/qiaojunfeng","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/22841309?s=80&v=4"},"commit":{"message":"Merge pull request #2 from npaulish/main\n\nadapted wan2skeaf to pass the bxsf filename as a parameter","shortMessageHtmlLink":"Merge pull request <a class=\"issue-link js-issue-link\" data-error-text=\"Failed to load title\" data-id=\"1693623368\" data-permission-text=\"Title is private\" data-url=\"https://github.com/qiaojunfeng/aiida-skeaf/issues/2\" data-hovercard-type=\"pull_request\" data-hovercard-url=\"/qiaojunfeng/aiida-skeaf/pull/2/hovercard\" href=\"https://github.com/qiaojunfeng/aiida-skeaf/pull/2\">#2</a> from npaulish/main"}},{"before":"21cc56974c2263c8ffd04cec3ac3b27d4636c1c5","after":"9091cea21afbc6229da185f9ca5713401d03e1ca","ref":"refs/heads/main","pushedAt":"2023-05-04T15:17:33.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"qiaojunfeng","name":"Junfeng Qiao","path":"/qiaojunfeng","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/22841309?s=80&v=4"},"commit":{"message":"Fix tests","shortMessageHtmlLink":"Fix tests"}}],"hasNextPage":false,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"djE6ks8AAAAEXANJ3QA","startCursor":null,"endCursor":null}},"title":"Activity · qiaojunfeng/aiida-skeaf"}