{"action":"created","issue":{"url":"https://api.github.com/repos/ATenderholt/cclib/issues/7","labels_url":"https://api.github.com/repos/ATenderholt/cclib/issues/7/labels{/name}","comments_url":"https://api.github.com/repos/ATenderholt/cclib/issues/7/comments","events_url":"https://api.github.com/repos/ATenderholt/cclib/issues/7/events","html_url":"https://github.com/ATenderholt/cclib/pull/7","id":55214113,"number":7,"title":"Parse the correct data for aooverlaps","user":{"login":"langner","id":743698,"avatar_url":"https://avatars.githubusercontent.com/u/743698?v=3","gravatar_id":"","url":"https://api.github.com/users/langner","html_url":"https://github.com/langner","followers_url":"https://api.github.com/users/langner/followers","following_url":"https://api.github.com/users/langner/following{/other_user}","gists_url":"https://api.github.com/users/langner/gists{/gist_id}","starred_url":"https://api.github.com/users/langner/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/langner/subscriptions","organizations_url":"https://api.github.com/users/langner/orgs","repos_url":"https://api.github.com/users/langner/repos","events_url":"https://api.github.com/users/langner/events{/privacy}","received_events_url":"https://api.github.com/users/langner/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":3,"created_at":"2015-01-22T21:51:47Z","updated_at":"2015-01-23T00:40:10Z","closed_at":null,"pull_request":{"url":"https://api.github.com/repos/ATenderholt/cclib/pulls/7","html_url":"https://github.com/ATenderholt/cclib/pull/7","diff_url":"https://github.com/ATenderholt/cclib/pull/7.diff","patch_url":"https://github.com/ATenderholt/cclib/pull/7.patch"},"body":"@ATenderholt I hope you weren't already coding this. Anyway, here is the fix and additional testing. I also removed the aooverlap test from unrestricted SP test, since they are the same.\r\n\r\nCould you run the DFT SP unittests for 6.5 with output for aooverlaps?\r\n\r\nP.S. I sent a message to nwchem-users about print \"overlaps\"."},"comment":{"url":"https://api.github.com/repos/ATenderholt/cclib/issues/comments/71128526","html_url":"https://github.com/ATenderholt/cclib/pull/7#issuecomment-71128526","issue_url":"https://api.github.com/repos/ATenderholt/cclib/issues/7","id":71128526,"user":{"login":"langner","id":743698,"avatar_url":"https://avatars.githubusercontent.com/u/743698?v=3","gravatar_id":"","url":"https://api.github.com/users/langner","html_url":"https://github.com/langner","followers_url":"https://api.github.com/users/langner/followers","following_url":"https://api.github.com/users/langner/following{/other_user}","gists_url":"https://api.github.com/users/langner/gists{/gist_id}","starred_url":"https://api.github.com/users/langner/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/langner/subscriptions","organizations_url":"https://api.github.com/users/langner/orgs","repos_url":"https://api.github.com/users/langner/repos","events_url":"https://api.github.com/users/langner/events{/privacy}","received_events_url":"https://api.github.com/users/langner/received_events","type":"User","site_admin":false},"created_at":"2015-01-23T00:40:10Z","updated_at":"2015-01-23T00:40:10Z","body":"> There should be the alternate overlap file called dvb_sp_hf_overlaps.out. Is there a way to tell a unit test script to run against an alternate file?\r\n\r\nThere is, but as far as we can see, the output is incomplete, right? So it would be better to maybe use this as a regression, and add a note to remember."}}