{"action":"created","issue":{"url":"https://api.github.com/repos/choderalab/alchemy/issues/47","repository_url":"https://api.github.com/repos/choderalab/alchemy","labels_url":"https://api.github.com/repos/choderalab/alchemy/issues/47/labels{/name}","comments_url":"https://api.github.com/repos/choderalab/alchemy/issues/47/comments","events_url":"https://api.github.com/repos/choderalab/alchemy/issues/47/events","html_url":"https://github.com/choderalab/alchemy/pull/47","id":181725472,"number":47,"title":"Test direct and reciprocal space energies","user":{"login":"andrrizzi","id":1682142,"avatar_url":"https://avatars.githubusercontent.com/u/1682142?v=3","gravatar_id":"","url":"https://api.github.com/users/andrrizzi","html_url":"https://github.com/andrrizzi","followers_url":"https://api.github.com/users/andrrizzi/followers","following_url":"https://api.github.com/users/andrrizzi/following{/other_user}","gists_url":"https://api.github.com/users/andrrizzi/gists{/gist_id}","starred_url":"https://api.github.com/users/andrrizzi/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/andrrizzi/subscriptions","organizations_url":"https://api.github.com/users/andrrizzi/orgs","repos_url":"https://api.github.com/users/andrrizzi/repos","events_url":"https://api.github.com/users/andrrizzi/events{/privacy}","received_events_url":"https://api.github.com/users/andrrizzi/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":3,"created_at":"2016-10-07T17:29:43Z","updated_at":"2016-10-07T21:05:55Z","closed_at":null,"pull_request":{"url":"https://api.github.com/repos/choderalab/alchemy/pulls/47","html_url":"https://github.com/choderalab/alchemy/pull/47","diff_url":"https://github.com/choderalab/alchemy/pull/47.diff","patch_url":"https://github.com/choderalab/alchemy/pull/47.patch"},"body":"This augment `check_interacting_energy()` to test that we model correctly the direct space energy in `PME` and `Ewald` methods. The test is marked `slow` but it passes locally, so if all other tests work this should be ready for review/merging."},"comment":{"url":"https://api.github.com/repos/choderalab/alchemy/issues/comments/252361041","html_url":"https://github.com/choderalab/alchemy/pull/47#issuecomment-252361041","issue_url":"https://api.github.com/repos/choderalab/alchemy/issues/47","id":252361041,"user":{"login":"jchodera","id":3656088,"avatar_url":"https://avatars.githubusercontent.com/u/3656088?v=3","gravatar_id":"","url":"https://api.github.com/users/jchodera","html_url":"https://github.com/jchodera","followers_url":"https://api.github.com/users/jchodera/followers","following_url":"https://api.github.com/users/jchodera/following{/other_user}","gists_url":"https://api.github.com/users/jchodera/gists{/gist_id}","starred_url":"https://api.github.com/users/jchodera/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/jchodera/subscriptions","organizations_url":"https://api.github.com/users/jchodera/orgs","repos_url":"https://api.github.com/users/jchodera/repos","events_url":"https://api.github.com/users/jchodera/events{/privacy}","received_events_url":"https://api.github.com/users/jchodera/received_events","type":"User","site_admin":false},"created_at":"2016-10-07T21:05:55Z","updated_at":"2016-10-07T21:05:55Z","body":"> compute the correction that OpenMM adds to the direct space caused by the contribution of exceptions/exclusions in the reciprocal space energy.\r\n\r\nCool! Do you get an idea for how large this correction is?\r\n\r\nI just posted an issue to `alchemy` reminding us that we can improve overlap if we add this term in:\r\nhttps://github.com/choderalab/alchemy/issues/48\r\n\r\nMaybe we should actually add now while we know how to tackle the correction?"}}
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