{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":2629302,"defaultBranch":"master","name":"pymatgen","ownerLogin":"materialsproject","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2011-10-23T04:10:39.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/867057?v=4","public":true,"private":false,"isOrgOwned":true},"refInfo":{"name":"","listCacheKey":"v0:1715536295.0","currentOid":""},"activityList":{"items":[{"before":"578d29ca2e27393c4afe38454b5915a3a984a544","after":"51180fc2ef7ae4208ac244d820f05ce17d57f9c2","ref":"refs/heads/master","pushedAt":"2024-05-13T13:27:16.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"Adapt to the latest version of PWmat output file (#3823)\n\n* Modify code compatible for latest version PWmat\r\n\r\n* pre-commit auto-fixes\r\n\r\n* Add test for keyword keyword\r\n\r\n* pre-commit auto-fixes\r\n\r\n* refactor tests to use pytest parametrization\r\n\r\n---------\r\n\r\nCo-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>\r\nCo-authored-by: Janosh Riebesell ","shortMessageHtmlLink":"Adapt to the latest version of PWmat output file (#3823)"}},{"before":"32a62c0a6bdb18298f602d249659235a9f7b183f","after":null,"ref":"refs/heads/Andrew-S-Rosen-patch-1","pushedAt":"2024-05-12T17:51:35.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"}},{"before":"abf0dbe906a8e4ab861a61dc92eea7c810ecf17b","after":"32a62c0a6bdb18298f602d249659235a9f7b183f","ref":"refs/heads/Andrew-S-Rosen-patch-1","pushedAt":"2024-05-12T17:40:32.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"Andrew-S-Rosen","name":"Andrew S. Rosen","path":"/Andrew-S-Rosen","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/8674072?s=80&v=4"},"commit":{"message":"Update setup.py\n\nSigned-off-by: Andrew S. Rosen ","shortMessageHtmlLink":"Update setup.py"}},{"before":"4fdf2cabea15239b8f0bcbd8b4cc6918c7d14c23","after":"abf0dbe906a8e4ab861a61dc92eea7c810ecf17b","ref":"refs/heads/Andrew-S-Rosen-patch-1","pushedAt":"2024-05-12T17:36:46.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"Andrew-S-Rosen","name":"Andrew S. Rosen","path":"/Andrew-S-Rosen","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/8674072?s=80&v=4"},"commit":{"message":"Update requirements.txt\n\nSigned-off-by: Andrew S. Rosen ","shortMessageHtmlLink":"Update requirements.txt"}},{"before":null,"after":"4fdf2cabea15239b8f0bcbd8b4cc6918c7d14c23","ref":"refs/heads/Andrew-S-Rosen-patch-1","pushedAt":"2024-05-12T17:34:55.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"Andrew-S-Rosen","name":"Andrew S. Rosen","path":"/Andrew-S-Rosen","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/8674072?s=80&v=4"},"commit":{"message":"[Not for merge] test monty PR 670\n\nSigned-off-by: Andrew S. Rosen ","shortMessageHtmlLink":"[Not for merge] test monty PR 670"}},{"before":"2e1c3016742d930cbdc5f4129e4036819e7755d3","after":"578d29ca2e27393c4afe38454b5915a3a984a544","ref":"refs/heads/master","pushedAt":"2024-05-12T12:45:45.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"Add types for `core.periodic_table/bonds/composition/ion/lattice/libxcfunc`, new type `MillerIndex` and fix Lattice hash (#3814)\n\n* tweak type and docstring\r\n\r\n* move dunder methods to the top\r\n\r\n* add more types and tweaks\r\n\r\n* relocate more dunder methods to top\r\n\r\n* more types and format tweaks\r\n\r\n* fix type error\r\n\r\n* add types for composition\r\n\r\n* help fix https://github.com/materialsproject/pymatgen/pull/3792#discussion_r1584003750\r\n\r\n* reverse compare order for readability\r\n\r\n* Revert \"reverse compare order for readability\"\r\n\r\nThis reverts commit 05ea23a35ffaf03dc70e9dcbdbf302ac69765603.\r\n\r\n* Revert \"help fix https://github.com/materialsproject/pymatgen/pull/3792#discussion_r1584003750\"\r\n\r\nThis reverts commit cae7aed4464f4f54c1b2f76d4f12c7a07a49d04e.\r\n\r\n* add types for `core.bonds`\r\n\r\n* finish `core.ion`\r\n\r\n* add some types\r\n\r\n* revert changes on core.interface\r\n\r\n* add types for `libxfunc`\r\n\r\n* remove unnecessary `libxc_version`\r\n\r\n* recover header\r\n\r\n* finish `Lattice`\r\n\r\n* fix unit test\r\n\r\n* Revert \"fix unit test\"\r\n\r\nThis reverts commit 4d17bcd6cd278d23c90396b1f2fc022425979a84.\r\n\r\n* merge two pbc checks\r\n\r\n* improve property pbc setter\r\n\r\n* fix type for pbc\r\n\r\n* fix circular import\r\n\r\n* revert script (unsure if needed)\r\n\r\n* add new type `MillerIndex`\r\n\r\n* change types to `MillerIndex`\r\n\r\n* add a proper hash method\r\n\r\n* fix typo in composition check of OH\r\n\r\n* revert non-interface changes\r\n\r\n* Revert \"revert non-interface changes\"\r\n\r\nThis reverts commit 7930238ebad2b1eb495568abfac4ae99eb7a7fad.\r\n\r\n* refactor\r\n\r\n* tweak doc strings\r\n\r\n---------\r\n\r\nCo-authored-by: Janosh Riebesell ","shortMessageHtmlLink":"Add types for `core.periodic_table/bonds/composition/ion/lattice/libx…"}},{"before":"6c696cdb327621d5d16c675478f4ed0e024feea1","after":"2e1c3016742d930cbdc5f4129e4036819e7755d3","ref":"refs/heads/master","pushedAt":"2024-05-10T19:35:43.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"opt into ruff docstring-code-format = true","shortMessageHtmlLink":"opt into ruff docstring-code-format = true"}},{"before":"21919d93948ab21c67f0aabee0fb2431e4202ae8","after":"6c696cdb327621d5d16c675478f4ed0e024feea1","ref":"refs/heads/master","pushedAt":"2024-05-08T14:00:22.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"shyuep","name":"Shyue Ping Ong","path":"/shyuep","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/577107?s=80&v=4"},"commit":{"message":"Revert backward incompatible symmop rename.","shortMessageHtmlLink":"Revert backward incompatible symmop rename."}},{"before":"a9da16e86f072febe3f25efe73a38f9ac611acd1","after":"21919d93948ab21c67f0aabee0fb2431e4202ae8","ref":"refs/heads/master","pushedAt":"2024-05-08T13:50:26.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"shyuep","name":"Shyue Ping Ong","path":"/shyuep","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/577107?s=80&v=4"},"commit":{"message":"Remove coderabbit.","shortMessageHtmlLink":"Remove coderabbit."}},{"before":"d9e9ef62523b517d2b73ea9e9df5f3a7259c7e9f","after":"a9da16e86f072febe3f25efe73a38f9ac611acd1","ref":"refs/heads/master","pushedAt":"2024-05-07T11:54:27.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"Re-enable some useful `ruff` rules (#3813)\n\n* remove COM812\r\n\r\n* remove ISC001\r\n\r\n* fix `RUF012`\r\n\r\n* enable `C408`\r\n\r\n* enable `PLC1901`\r\n\r\n* enable `PYI024` to fix partially\r\n\r\n* revert change for abiobjects\r\n\r\n* finish `PYI024`\r\n\r\n* remove `PERF203` no change to code\r\n\r\n* Revert \"enable `C408`\"\r\n\r\nThis reverts commit 38a5aa7c800e7d048922d4d80271dcbe28f7c761.\r\n\r\n* address https://github.com/materialsproject/pymatgen/pull/3813#issuecomment-2098194729\r\n\r\n---------\r\n\r\nCo-authored-by: Janosh Riebesell ","shortMessageHtmlLink":"Re-enable some useful ruff rules (#3813)"}},{"before":"05c1f8837038f7039e857806728bd61992fdf7c2","after":"b2752f2adc4e4a54df29e6f2ae36a9bf7ca6f7ca","ref":"refs/heads/merge-matgenb-repo","pushedAt":"2024-05-07T11:50:29.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"pre-commit-ci[bot]","name":null,"path":"/apps/pre-commit-ci","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/68672?s=80&v=4"},"commit":{"message":"pre-commit auto-fixes","shortMessageHtmlLink":"pre-commit auto-fixes"}},{"before":"df433dbb0615722dd0a75b4f2d8a9f4ed47e2555","after":"05c1f8837038f7039e857806728bd61992fdf7c2","ref":"refs/heads/merge-matgenb-repo","pushedAt":"2024-05-07T11:49:05.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"JaGeo","name":"J. George","path":"/JaGeo","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/22094846?s=80&v=4"},"commit":{"message":"delete old cohp tututoria","shortMessageHtmlLink":"delete old cohp tututoria"}},{"before":"46b018ddc66bc8b60c9528a040bf7fce010f2dca","after":"d9e9ef62523b517d2b73ea9e9df5f3a7259c7e9f","ref":"refs/heads/master","pushedAt":"2024-05-07T11:38:34.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"Add a `from_ase_atoms()` method to `Structure` (#3812)\n\n* Add a `from_ase_atoms()` to `Structure`\r\n\r\n* pre-commit auto-fixes\r\n\r\n* tweak doc str, add more tests, fix possibly unbound vars in test_structure.py\r\n\r\n---------\r\n\r\nCo-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>\r\nCo-authored-by: Janosh Riebesell ","shortMessageHtmlLink":"Add a from_ase_atoms() method to Structure (#3812)"}},{"before":"761bae94c25bf0eba8b56a33b0f2962f52bad1eb","after":"df433dbb0615722dd0a75b4f2d8a9f4ed47e2555","ref":"refs/heads/merge-matgenb-repo","pushedAt":"2024-05-07T00:16:27.000Z","pushType":"push","commitsCount":2,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"ruff auto fix and format notebooks","shortMessageHtmlLink":"ruff auto fix and format notebooks"}},{"before":null,"after":"761bae94c25bf0eba8b56a33b0f2962f52bad1eb","ref":"refs/heads/merge-matgenb-repo","pushedAt":"2024-05-06T23:36:17.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"copy whole https://github.com/materialsvirtuallab/matgenb repo into new pymatgen examples/ folder","shortMessageHtmlLink":"copy whole https://github.com/materialsvirtuallab/matgenb repo into n…"}},{"before":"ad19ffb37c1b7a14f7e6c538cfb6b3edb4d5bf50","after":"46b018ddc66bc8b60c9528a040bf7fce010f2dca","ref":"refs/heads/master","pushedAt":"2024-05-06T19:04:27.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"POST request to trigger Atomate2 CI on changes to master\n\naddresses https://github.com/materialsproject/foundation/pull/24\nties into https://github.com/materialsproject/atomate2/pull/835","shortMessageHtmlLink":"POST request to trigger Atomate2 CI on changes to master"}},{"before":"945dc77e03fb9c09f11e31b2a0293c71c54cd911","after":null,"ref":"refs/heads/fix-gh-3809","pushedAt":"2024-05-06T15:46:06.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"}},{"before":"a16ac3926c61b2e12b14b2bceb475da70cc0d755","after":"ad19ffb37c1b7a14f7e6c538cfb6b3edb4d5bf50","ref":"refs/heads/master","pushedAt":"2024-05-06T15:46:05.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"`Cp2kOutput.parse_initial_structure()` use regex for line matching to allow arbitrary white space between Atom/Kind/Element/... (#3810)\n\n* refactor Cp2kOutput.parse_initial_structure for readability\r\n\r\n* Cp2kOutput.parse_initial_structure() use regex to allow arbitrary white space between Atom/Kind/Element/...\r\n\r\n* test with previously failing example line from gh-3809\r\n\r\n Atom Kind Element X Y Z Z(eff) Mass","shortMessageHtmlLink":"Cp2kOutput.parse_initial_structure() use regex for line matching to…"}},{"before":"282d6af4c72241840d8ef8cd1fac8acc76cdc1f3","after":"945dc77e03fb9c09f11e31b2a0293c71c54cd911","ref":"refs/heads/fix-gh-3809","pushedAt":"2024-05-06T15:34:15.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"test with previously failing example line from gh-3809\n\n Atom Kind Element X Y Z Z(eff) Mass","shortMessageHtmlLink":"test with previously failing example line from gh-3809"}},{"before":null,"after":"282d6af4c72241840d8ef8cd1fac8acc76cdc1f3","ref":"refs/heads/fix-gh-3809","pushedAt":"2024-05-06T15:33:01.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"test with previously failing example line from gh-3809\n\n Atom Kind Element X Y Z Z(eff) Mass","shortMessageHtmlLink":"test with previously failing example line from gh-3809"}},{"before":"d1040a7bff3d0aa828c37e28ea8657e9f1013ea9","after":null,"ref":"refs/heads/ruff-fixes","pushedAt":"2024-05-04T11:22:06.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"}},{"before":"c43af9b8c7c1556bc438a5216ecaabe20714835c","after":"a16ac3926c61b2e12b14b2bceb475da70cc0d755","ref":"refs/heads/master","pushedAt":"2024-05-04T11:22:05.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"`ruff` 0.4.3 auto-fixes (#3808)\n\n* ruff auto-fixes\r\n\r\n* PascalCase class name mpl_figure","shortMessageHtmlLink":"ruff 0.4.3 auto-fixes (#3808)"}},{"before":"8f011ff61b4010d048e43709061f60ea3e909e26","after":"d1040a7bff3d0aa828c37e28ea8657e9f1013ea9","ref":"refs/heads/ruff-fixes","pushedAt":"2024-05-04T11:11:52.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"PascalCase class name mpl_figure","shortMessageHtmlLink":"PascalCase class name mpl_figure"}},{"before":null,"after":"8f011ff61b4010d048e43709061f60ea3e909e26","ref":"refs/heads/ruff-fixes","pushedAt":"2024-05-04T11:07:41.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"ruff auto-fixes","shortMessageHtmlLink":"ruff auto-fixes"}},{"before":"af239c9a6d9de1265eb7b0068e2b8cc9458ed9e5","after":null,"ref":"refs/heads/dependabot/pip/tqdm-4.66.3","pushedAt":"2024-05-04T10:47:03.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"}},{"before":"0594672befad9b49a44eec903de7021bfda3b6e7","after":"c43af9b8c7c1556bc438a5216ecaabe20714835c","ref":"refs/heads/master","pushedAt":"2024-05-03T23:29:50.000Z","pushType":"pr_merge","commitsCount":1,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"},"commit":{"message":"mixing scheme: change default for verbose (#3806)\n\nSee code changes\r\n\r\nSigned-off-by: Patrick Huck ","shortMessageHtmlLink":"mixing scheme: change default for verbose (#3806)"}},{"before":"00a5037e66c0907b9b3ee8392643f3c23b1a42fd","after":null,"ref":"refs/heads/tschaume-mixing-scheme-verbose","pushedAt":"2024-05-03T23:29:50.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"}},{"before":null,"after":"af239c9a6d9de1265eb7b0068e2b8cc9458ed9e5","ref":"refs/heads/dependabot/pip/tqdm-4.66.3","pushedAt":"2024-05-03T22:07:46.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"dependabot[bot]","name":null,"path":"/apps/dependabot","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/29110?s=80&v=4"},"commit":{"message":"Bump tqdm from 4.66.2 to 4.66.3\n\nBumps [tqdm](https://github.com/tqdm/tqdm) from 4.66.2 to 4.66.3.\n- [Release notes](https://github.com/tqdm/tqdm/releases)\n- [Commits](https://github.com/tqdm/tqdm/compare/v4.66.2...v4.66.3)\n\n---\nupdated-dependencies:\n- dependency-name: tqdm\n dependency-type: direct:production\n...\n\nSigned-off-by: dependabot[bot] ","shortMessageHtmlLink":"Bump tqdm from 4.66.2 to 4.66.3"}},{"before":null,"after":"00a5037e66c0907b9b3ee8392643f3c23b1a42fd","ref":"refs/heads/tschaume-mixing-scheme-verbose","pushedAt":"2024-05-03T21:26:26.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"tschaume","name":"Patrick Huck","path":"/tschaume","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/1404564?s=80&v=4"},"commit":{"message":"mixing scheme: change default for verbose\n\nSee code changes\n\nSigned-off-by: Patrick Huck ","shortMessageHtmlLink":"mixing scheme: change default for verbose"}},{"before":"e49a73b196bdbe4a14bbeef86d2d8335566ca79c","after":null,"ref":"refs/heads/doc-strings","pushedAt":"2024-05-03T19:53:15.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"janosh","name":"Janosh Riebesell","path":"/janosh","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/30958850?s=80&v=4"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"djE6ks8AAAAESHCVKQA","startCursor":null,"endCursor":null}},"title":"Activity · materialsproject/pymatgen"}