{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":447042085,"defaultBranch":"main","name":"ccinput","ownerLogin":"cyllab","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2022-01-12T01:53:02.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/85464487?v=4","public":true,"private":false,"isOrgOwned":true},"refInfo":{"name":"","listCacheKey":"v0:1717520688.0","currentOid":""},"activityList":{"items":[{"before":"02ce1226428ade37feee933eb9304f8682311a96","after":"3300080192f520abf1f87972ac1a9ef25614db2b","ref":"refs/heads/main","pushedAt":"2024-06-04T17:04:17.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Made error message slightly more verbose","shortMessageHtmlLink":"Made error message slightly more verbose"}},{"before":"06fc6c250306bcad560436b8fff56d3f75dceafa","after":"02ce1226428ade37feee933eb9304f8682311a96","ref":"refs/heads/main","pushedAt":"2024-06-04T17:00:27.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"Code style standardization","shortMessageHtmlLink":"Code style standardization"}},{"before":"0be6b6c26670e735b44e238d1deaad1e8098a21f","after":"06fc6c250306bcad560436b8fff56d3f75dceafa","ref":"refs/heads/main","pushedAt":"2024-06-04T17:00:10.000Z","pushType":"pr_merge","commitsCount":2,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Merge pull request #17 from corcoted/corcoted\n\nFix get_abs_basis_set when basis set is unknown and trust_me is True","shortMessageHtmlLink":"Merge pull request #17 from corcoted/corcoted"}},{"before":"d9c84e108317b4cf4d010de563ae93380525355f","after":"0be6b6c26670e735b44e238d1deaad1e8098a21f","ref":"refs/heads/main","pushedAt":"2024-01-15T19:35:54.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Updated docs requirements","shortMessageHtmlLink":"Updated docs requirements"}},{"before":"cd412fc029abb4fbd33df3f49bba077fa5aa3a3e","after":"d9c84e108317b4cf4d010de563ae93380525355f","ref":"refs/heads/main","pushedAt":"2024-01-15T16:03:50.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Fixed memory specification","shortMessageHtmlLink":"Fixed memory specification"}},{"before":"81d9c9016ec85bf61d9e59c56ab44da42533f3e7","after":"cd412fc029abb4fbd33df3f49bba077fa5aa3a3e","ref":"refs/heads/main","pushedAt":"2023-10-08T17:51:43.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Fixed docs","shortMessageHtmlLink":"Fixed docs"}},{"before":"2fdb981e52dac6c44357747887c64789ee48aa71","after":"81d9c9016ec85bf61d9e59c56ab44da42533f3e7","ref":"refs/heads/main","pushedAt":"2023-10-08T17:48:41.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Added missing file for documentation building","shortMessageHtmlLink":"Added missing file for documentation building"}},{"before":"c42376984ffcbfa866881350afd6e4995b287129","after":"2fdb981e52dac6c44357747887c64789ee48aa71","ref":"refs/heads/main","pushedAt":"2023-10-08T17:33:22.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Added support for --molden and --json output specifications in xtb","shortMessageHtmlLink":"Added support for --molden and --json output specifications in xtb"}},{"before":"a55d0316c38753587f561efc4af1e511a543e906","after":"c42376984ffcbfa866881350afd6e4995b287129","ref":"refs/heads/main","pushedAt":"2023-08-26T20:28:53.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Updated the documentation","shortMessageHtmlLink":"Updated the documentation"}},{"before":"30bab85be2ecfe7f54ecfdef319b8a7c9e59ac05","after":"a55d0316c38753587f561efc4af1e511a543e906","ref":"refs/heads/main","pushedAt":"2023-08-21T13:56:47.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Added concerted xtb scans","shortMessageHtmlLink":"Added concerted xtb scans"}},{"before":"529d38aa92494268b5cbc84ee6b92dc363c2be77","after":"30bab85be2ecfe7f54ecfdef319b8a7c9e59ac05","ref":"refs/heads/main","pushedAt":"2023-07-17T21:05:48.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Added the list of contributors in the README","shortMessageHtmlLink":"Added the list of contributors in the README"}},{"before":"d38ef0c0d863909eba83da71332ec41b5fbeb7dd","after":"529d38aa92494268b5cbc84ee6b92dc363c2be77","ref":"refs/heads/main","pushedAt":"2023-07-15T13:12:08.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Fixed docs and minor tweaks","shortMessageHtmlLink":"Fixed docs and minor tweaks"}},{"before":"65f996ae429e7c5b228f03cc5d9ec0b2bf374e4e","after":"d38ef0c0d863909eba83da71332ec41b5fbeb7dd","ref":"refs/heads/main","pushedAt":"2023-07-15T13:02:26.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"Code style standardization","shortMessageHtmlLink":"Code style standardization"}},{"before":"760975d71fa47f84b089a3794e2c79b0f7f747be","after":"65f996ae429e7c5b228f03cc5d9ec0b2bf374e4e","ref":"refs/heads/main","pushedAt":"2023-07-15T13:02:07.000Z","pushType":"pr_merge","commitsCount":10,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Merge pull request #16 from zarkoivkovicc/nwchem\n\nNwchem Final GSoC Project","shortMessageHtmlLink":"Merge pull request #16 from zarkoivkovicc/nwchem"}},{"before":"3207f912cac0c22e1ded28345d755dc9c8c04a9f","after":"760975d71fa47f84b089a3794e2c79b0f7f747be","ref":"refs/heads/main","pushedAt":"2023-06-27T16:00:45.406Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"Code style standardization","shortMessageHtmlLink":"Code style standardization"}},{"before":"03d02fc2b14fc1c27e2ca7f1f6c4bdb42ce083c9","after":"3207f912cac0c22e1ded28345d755dc9c8c04a9f","ref":"refs/heads/main","pushedAt":"2023-06-27T16:00:20.253Z","pushType":"pr_merge","commitsCount":4,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Merge pull request #14 from zarkoivkovicc/nwchem\n\nNwchem changed implementation of constraints and blocked scan attempts","shortMessageHtmlLink":"Merge pull request #14 from zarkoivkovicc/nwchem"}},{"before":"a0030d73902a9d76689b3cf8502db900036c068b","after":"03d02fc2b14fc1c27e2ca7f1f6c4bdb42ce083c9","ref":"refs/heads/main","pushedAt":"2023-06-22T16:07:34.218Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"Code style standardization","shortMessageHtmlLink":"Code style standardization"}},{"before":"6eaed47eb65bd37e9b936faa65bac0a33a1f7cde","after":"a0030d73902a9d76689b3cf8502db900036c068b","ref":"refs/heads/main","pushedAt":"2023-06-22T16:07:11.468Z","pushType":"pr_merge","commitsCount":3,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Merge pull request #12 from lauragranmar/psi4\n\nAdded additional support for Psi4","shortMessageHtmlLink":"Merge pull request #12 from lauragranmar/psi4"}},{"before":"95b8b773a66b88c0c56175450a03db3c07304d1b","after":"6eaed47eb65bd37e9b936faa65bac0a33a1f7cde","ref":"refs/heads/main","pushedAt":"2023-06-12T15:40:25.041Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"Code style standardization","shortMessageHtmlLink":"Code style standardization"}},{"before":"9176a44d347d787d333d1280a44b1e0d72f4c702","after":"95b8b773a66b88c0c56175450a03db3c07304d1b","ref":"refs/heads/main","pushedAt":"2023-06-12T15:40:07.253Z","pushType":"pr_merge","commitsCount":5,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Merge pull request #11 from zarkoivkovicc/nwchem\n\nnwchem tests 1.0 + minor fixes","shortMessageHtmlLink":"Merge pull request #11 from zarkoivkovicc/nwchem"}},{"before":"2b7e5724c1db745351cecb99d05d5cbafc8fa03e","after":"9176a44d347d787d333d1280a44b1e0d72f4c702","ref":"refs/heads/main","pushedAt":"2023-06-03T11:49:31.184Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"Code style standardization","shortMessageHtmlLink":"Code style standardization"}},{"before":"34be97145b5c2bb35ce6fb05ac8d5aff2c199245","after":"2b7e5724c1db745351cecb99d05d5cbafc8fa03e","ref":"refs/heads/main","pushedAt":"2023-06-03T11:49:13.812Z","pushType":"pr_merge","commitsCount":11,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Merge pull request #10 from zarkoivkovicc/nwchem\n\nInitial NWChem support","shortMessageHtmlLink":"Merge pull request #10 from zarkoivkovicc/nwchem"}},{"before":"49dca1790b1f3be2dc80ea32bd08cd7669e005ba","after":"34be97145b5c2bb35ce6fb05ac8d5aff2c199245","ref":"refs/heads/main","pushedAt":"2023-05-24T15:07:30.378Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Added sanity tests and fixed a bug with multiple custom basis sets in ORCA","shortMessageHtmlLink":"Added sanity tests and fixed a bug with multiple custom basis sets in…"}},{"before":"7776f7e4aad19e673299b56d154e400848e7c505","after":"49dca1790b1f3be2dc80ea32bd08cd7669e005ba","ref":"refs/heads/main","pushedAt":"2023-04-23T15:52:27.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Increased the default CREST RMSD threshold","shortMessageHtmlLink":"Increased the default CREST RMSD threshold"}},{"before":"21631a32c94790f448e1dfb1d7fcb1b000224a20","after":null,"ref":"refs/tags/v1.8.0","pushedAt":"2023-04-23T15:50:53.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"}},{"before":"ae79d1cded51c91ccb76e04257e70310fc1edc66","after":"7776f7e4aad19e673299b56d154e400848e7c505","ref":"refs/heads/main","pushedAt":"2023-04-23T15:48:06.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Increased the default CREST RMSD threshold","shortMessageHtmlLink":"Increased the default CREST RMSD threshold"}},{"before":"0a6c69a858a0eba83e89090559f4668eb0654ce7","after":"ae79d1cded51c91ccb76e04257e70310fc1edc66","ref":"refs/heads/main","pushedAt":"2023-04-19T12:15:03.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Added some more details in the code","shortMessageHtmlLink":"Added some more details in the code"}},{"before":"d5a550699bb24c62440ae5567739b5a5814b14b9","after":"0a6c69a858a0eba83e89090559f4668eb0654ce7","ref":"refs/heads/main","pushedAt":"2023-04-17T18:30:36.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"github-actions[bot]","name":null,"path":"/apps/github-actions","primaryAvatarUrl":"https://avatars.githubusercontent.com/in/15368?s=80&v=4"},"commit":{"message":"Code style standardization","shortMessageHtmlLink":"Code style standardization"}},{"before":"5e18f4786c723621ee5dbdfc0223e200e316a63a","after":"d5a550699bb24c62440ae5567739b5a5814b14b9","ref":"refs/heads/main","pushedAt":"2023-04-17T18:30:19.000Z","pushType":"pr_merge","commitsCount":3,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Merge pull request #9 from lauragranmar/psi4\n\nAdded basic support for psi4","shortMessageHtmlLink":"Merge pull request #9 from lauragranmar/psi4"}},{"before":"f3d495f28c5a83216cc40e6eeb7a577e3df056b1","after":"5e18f4786c723621ee5dbdfc0223e200e316a63a","ref":"refs/heads/main","pushedAt":"2023-03-28T18:24:52.145Z","pushType":"pr_merge","commitsCount":4,"pusher":{"login":"RaphaelRobidas","name":"Raphaël Robidas","path":"/RaphaelRobidas","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/52597883?s=80&v=4"},"commit":{"message":"Merge pull request #8 from berquist/qchem\n\nInitial Q-Chem input generator","shortMessageHtmlLink":"Merge pull request #8 from berquist/qchem"}}],"hasNextPage":true,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"djE6ks8AAAAEXEb3kwA","startCursor":null,"endCursor":null}},"title":"Activity · cyllab/ccinput"}