{"action":"created","issue":{"url":"https://api.github.com/repos/pandegroup/openmm/issues/914","labels_url":"https://api.github.com/repos/pandegroup/openmm/issues/914/labels{/name}","comments_url":"https://api.github.com/repos/pandegroup/openmm/issues/914/comments","events_url":"https://api.github.com/repos/pandegroup/openmm/issues/914/events","html_url":"https://github.com/pandegroup/openmm/issues/914","id":75765909,"number":914,"title":"Fixed time simulations","user":{"login":"peastman","id":4379786,"avatar_url":"https://avatars.githubusercontent.com/u/4379786?v=3","gravatar_id":"","url":"https://api.github.com/users/peastman","html_url":"https://github.com/peastman","followers_url":"https://api.github.com/users/peastman/followers","following_url":"https://api.github.com/users/peastman/following{/other_user}","gists_url":"https://api.github.com/users/peastman/gists{/gist_id}","starred_url":"https://api.github.com/users/peastman/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/peastman/subscriptions","organizations_url":"https://api.github.com/users/peastman/orgs","repos_url":"https://api.github.com/users/peastman/repos","events_url":"https://api.github.com/users/peastman/events{/privacy}","received_events_url":"https://api.github.com/users/peastman/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":7,"created_at":"2015-05-12T22:42:16Z","updated_at":"2015-05-12T22:56:11Z","closed_at":null,"body":"A feature that's been requested a few times is the ability to have simulations run for a fixed amount of clock time, then write a checkpoint and exit.  I'd like to get feedback on a few potential designs.\r\n\r\n1. A class called SimulationTimeLimiter.  You would add it to a Simulation's list of reporters, and give it either an amount of time to run, or a clock time at which to stop.  When the end time is reached, it would automatically write out a checkpoint (a binary checkpoint file, a serialized State, or both at your choice), then call exit().\r\n\r\n2. A method on Simulation to run for a fixed amount of clock time.  You would then be responsible for writing out the checkpoint yourself.\r\n\r\n3. Don't add any new features, and just give an example script for doing this.  The script generator could also provide this as an option."},"comment":{"url":"https://api.github.com/repos/pandegroup/openmm/issues/comments/101451581","html_url":"https://github.com/pandegroup/openmm/issues/914#issuecomment-101451581","issue_url":"https://api.github.com/repos/pandegroup/openmm/issues/914","id":101451581,"user":{"login":"rmcgibbo","id":641278,"avatar_url":"https://avatars.githubusercontent.com/u/641278?v=3","gravatar_id":"","url":"https://api.github.com/users/rmcgibbo","html_url":"https://github.com/rmcgibbo","followers_url":"https://api.github.com/users/rmcgibbo/followers","following_url":"https://api.github.com/users/rmcgibbo/following{/other_user}","gists_url":"https://api.github.com/users/rmcgibbo/gists{/gist_id}","starred_url":"https://api.github.com/users/rmcgibbo/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/rmcgibbo/subscriptions","organizations_url":"https://api.github.com/users/rmcgibbo/orgs","repos_url":"https://api.github.com/users/rmcgibbo/repos","events_url":"https://api.github.com/users/rmcgibbo/events{/privacy}","received_events_url":"https://api.github.com/users/rmcgibbo/received_events","type":"User","site_admin":false},"created_at":"2015-05-12T22:56:11Z","updated_at":"2015-05-12T22:56:11Z","body":"That would be fine. Overall I'm +1 on adding more convenience features to `Simulation` as methods, as opposed to reporters."}}