{"action":"created","issue":{"url":"https://api.github.com/repos/pandegroup/openmm/issues/1504","repository_url":"https://api.github.com/repos/pandegroup/openmm","labels_url":"https://api.github.com/repos/pandegroup/openmm/issues/1504/labels{/name}","comments_url":"https://api.github.com/repos/pandegroup/openmm/issues/1504/comments","events_url":"https://api.github.com/repos/pandegroup/openmm/issues/1504/events","html_url":"https://github.com/pandegroup/openmm/pull/1504","id":157320213,"number":1504,"title":"[WIP] Precompute GBNeck terms","user":{"login":"jlmaccal","id":108119,"avatar_url":"https://avatars.githubusercontent.com/u/108119?v=3","gravatar_id":"","url":"https://api.github.com/users/jlmaccal","html_url":"https://github.com/jlmaccal","followers_url":"https://api.github.com/users/jlmaccal/followers","following_url":"https://api.github.com/users/jlmaccal/following{/other_user}","gists_url":"https://api.github.com/users/jlmaccal/gists{/gist_id}","starred_url":"https://api.github.com/users/jlmaccal/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/jlmaccal/subscriptions","organizations_url":"https://api.github.com/users/jlmaccal/orgs","repos_url":"https://api.github.com/users/jlmaccal/repos","events_url":"https://api.github.com/users/jlmaccal/events{/privacy}","received_events_url":"https://api.github.com/users/jlmaccal/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":13,"created_at":"2016-05-28T04:40:38Z","updated_at":"2016-05-28T21:44:01Z","closed_at":null,"pull_request":{"url":"https://api.github.com/repos/pandegroup/openmm/pulls/1504","html_url":"https://github.com/pandegroup/openmm/pull/1504","diff_url":"https://github.com/pandegroup/openmm/pull/1504.diff","patch_url":"https://github.com/pandegroup/openmm/pull/1504.patch"},"body":"@swails Can you take a look at this incomplete PR?\r\n\r\nThe speed has improved again, but I'm not getting results that match the previous version. I suspect the problem is in `customgbforces.py` in the `_createUniqueTable` function. I'm guessing I screwed up computing the interpolated values, but I can't seem to spot the mistake.\r\n"},"comment":{"url":"https://api.github.com/repos/pandegroup/openmm/issues/comments/222331045","html_url":"https://github.com/pandegroup/openmm/pull/1504#issuecomment-222331045","issue_url":"https://api.github.com/repos/pandegroup/openmm/issues/1504","id":222331045,"user":{"login":"jlmaccal","id":108119,"avatar_url":"https://avatars.githubusercontent.com/u/108119?v=3","gravatar_id":"","url":"https://api.github.com/users/jlmaccal","html_url":"https://github.com/jlmaccal","followers_url":"https://api.github.com/users/jlmaccal/followers","following_url":"https://api.github.com/users/jlmaccal/following{/other_user}","gists_url":"https://api.github.com/users/jlmaccal/gists{/gist_id}","starred_url":"https://api.github.com/users/jlmaccal/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/jlmaccal/subscriptions","organizations_url":"https://api.github.com/users/jlmaccal/orgs","repos_url":"https://api.github.com/users/jlmaccal/repos","events_url":"https://api.github.com/users/jlmaccal/events{/privacy}","received_events_url":"https://api.github.com/users/jlmaccal/received_events","type":"User","site_admin":false},"created_at":"2016-05-28T21:44:01Z","updated_at":"2016-05-28T21:44:01Z","body":"OK, I removed the ABC stuff since we're not using 2to3 and it's not worth adding a dependency on `six` just for that. I also renamed to `CustomAmberGBForceBase` to better reflect that it is a base class."}}
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