{"action":"created","issue":{"url":"https://api.github.com/repos/psi4/psi4/issues/256","repository_url":"https://api.github.com/repos/psi4/psi4","labels_url":"https://api.github.com/repos/psi4/psi4/issues/256/labels{/name}","comments_url":"https://api.github.com/repos/psi4/psi4/issues/256/comments","events_url":"https://api.github.com/repos/psi4/psi4/issues/256/events","html_url":"https://github.com/psi4/psi4/issues/256","id":133939584,"number":256,"title":"seg.fault with dft and soscf","user":{"login":"hokru","id":1648640,"avatar_url":"https://avatars.githubusercontent.com/u/1648640?v=3","gravatar_id":"","url":"https://api.github.com/users/hokru","html_url":"https://github.com/hokru","followers_url":"https://api.github.com/users/hokru/followers","following_url":"https://api.github.com/users/hokru/following{/other_user}","gists_url":"https://api.github.com/users/hokru/gists{/gist_id}","starred_url":"https://api.github.com/users/hokru/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/hokru/subscriptions","organizations_url":"https://api.github.com/users/hokru/orgs","repos_url":"https://api.github.com/users/hokru/repos","events_url":"https://api.github.com/users/hokru/events{/privacy}","received_events_url":"https://api.github.com/users/hokru/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":3,"created_at":"2016-02-16T10:21:34Z","updated_at":"2016-02-16T19:21:09Z","closed_at":null,"body":"version: Rev {master} 0d10de8\r\n\r\nAfter entering the SOSCF psi4 exists with a segmentation fault. It prints the soscf header if soscf_print true. Occurs e.g. when I run soscf1 test case with PBE instead of HF.\r\n\r\nI don't know if SOSCF should work with DFT or not.\r\n\r\n"},"comment":{"url":"https://api.github.com/repos/psi4/psi4/issues/comments/184839465","html_url":"https://github.com/psi4/psi4/issues/256#issuecomment-184839465","issue_url":"https://api.github.com/repos/psi4/psi4/issues/256","id":184839465,"user":{"login":"hokru","id":1648640,"avatar_url":"https://avatars.githubusercontent.com/u/1648640?v=3","gravatar_id":"","url":"https://api.github.com/users/hokru","html_url":"https://github.com/hokru","followers_url":"https://api.github.com/users/hokru/followers","following_url":"https://api.github.com/users/hokru/following{/other_user}","gists_url":"https://api.github.com/users/hokru/gists{/gist_id}","starred_url":"https://api.github.com/users/hokru/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/hokru/subscriptions","organizations_url":"https://api.github.com/users/hokru/orgs","repos_url":"https://api.github.com/users/hokru/repos","events_url":"https://api.github.com/users/hokru/events{/privacy}","received_events_url":"https://api.github.com/users/hokru/received_events","type":"User","site_admin":false},"created_at":"2016-02-16T19:21:09Z","updated_at":"2016-02-16T19:21:09Z","body":"Thanks for putting in a soft fail!\r\n\r\nI used it for cytosine with a minimal basis set (Grimme's MINIX). It did work with HF and obviously failed for wPBE. Tried it because ip_fitting had convergence issues somewhere (nothing to worry about i think).\r\n\r\nI initially though it is similar to the approx. SOSCF in ORCA and not the full SOSCF. Otherwise I would not have bothered.\r\n"}}