{"action":"created","issue":{"url":"https://api.github.com/repos/colvars/colvars/issues/46","labels_url":"https://api.github.com/repos/colvars/colvars/issues/46/labels{/name}","comments_url":"https://api.github.com/repos/colvars/colvars/issues/46/comments","events_url":"https://api.github.com/repos/colvars/colvars/issues/46/events","html_url":"https://github.com/colvars/colvars/issues/46","id":115404933,"number":46,"title":"steinhardt bond order parameter ","user":{"login":"mikemitch","id":15680214,"avatar_url":"https://avatars.githubusercontent.com/u/15680214?v=3","gravatar_id":"","url":"https://api.github.com/users/mikemitch","html_url":"https://github.com/mikemitch","followers_url":"https://api.github.com/users/mikemitch/followers","following_url":"https://api.github.com/users/mikemitch/following{/other_user}","gists_url":"https://api.github.com/users/mikemitch/gists{/gist_id}","starred_url":"https://api.github.com/users/mikemitch/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mikemitch/subscriptions","organizations_url":"https://api.github.com/users/mikemitch/orgs","repos_url":"https://api.github.com/users/mikemitch/repos","events_url":"https://api.github.com/users/mikemitch/events{/privacy}","received_events_url":"https://api.github.com/users/mikemitch/received_events","type":"User","site_admin":false},"labels":[{"url":"https://api.github.com/repos/colvars/colvars/labels/enhancement","name":"enhancement","color":"84b6eb"}],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":3,"created_at":"2015-11-06T00:08:26Z","updated_at":"2015-11-06T17:53:49Z","closed_at":null,"body":"Hello list:\r\nCould I request the addition of the Steinhardt bond order parameters (Q,W) as a colvars component? These are implemented in the CP2K code, but I was unable to find an implementation here. Of course, if there is already something like this implemented please forgive my not reading of the manual.\r\n\r\nBest\r\n--Mike                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                "},"comment":{"url":"https://api.github.com/repos/colvars/colvars/issues/comments/154484761","html_url":"https://github.com/colvars/colvars/issues/46#issuecomment-154484761","issue_url":"https://api.github.com/repos/colvars/colvars/issues/46","id":154484761,"user":{"login":"mikemitch","id":15680214,"avatar_url":"https://avatars.githubusercontent.com/u/15680214?v=3","gravatar_id":"","url":"https://api.github.com/users/mikemitch","html_url":"https://github.com/mikemitch","followers_url":"https://api.github.com/users/mikemitch/followers","following_url":"https://api.github.com/users/mikemitch/following{/other_user}","gists_url":"https://api.github.com/users/mikemitch/gists{/gist_id}","starred_url":"https://api.github.com/users/mikemitch/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/mikemitch/subscriptions","organizations_url":"https://api.github.com/users/mikemitch/orgs","repos_url":"https://api.github.com/users/mikemitch/repos","events_url":"https://api.github.com/users/mikemitch/events{/privacy}","received_events_url":"https://api.github.com/users/mikemitch/received_events","type":"User","site_admin":false},"created_at":"2015-11-06T17:53:49Z","updated_at":"2015-11-06T17:53:49Z","body":"Hi Jérôme/Giacomo:\r\nThanks for the reply.\r\nI currently mostly use LAMMPS for my sims.\r\nI'd be willing to work on coding this as well (I'm generally useful with C++).\r\nI presume that the bulk of the work would involve calculating the Legendre polynomials and getting the forces, but that is all coded in other programs already (i.e. CP2K)\r\nAre there quick pointers as to where to start modifying the current code?\r\n\r\nThanks\r\n--Mike"}}