{"action":"created","issue":{"url":"https://api.github.com/repos/wannier-developers/wannier90/issues/2","repository_url":"https://api.github.com/repos/wannier-developers/wannier90","labels_url":"https://api.github.com/repos/wannier-developers/wannier90/issues/2/labels{/name}","comments_url":"https://api.github.com/repos/wannier-developers/wannier90/issues/2/comments","events_url":"https://api.github.com/repos/wannier-developers/wannier90/issues/2/events","html_url":"https://github.com/wannier-developers/wannier90/issues/2","id":174479998,"number":2,"title":"Improvements to the library mode of Wannier90","user":{"login":"giovannipizzi","id":16132028,"avatar_url":"https://avatars.githubusercontent.com/u/16132028?v=3","gravatar_id":"","url":"https://api.github.com/users/giovannipizzi","html_url":"https://github.com/giovannipizzi","followers_url":"https://api.github.com/users/giovannipizzi/followers","following_url":"https://api.github.com/users/giovannipizzi/following{/other_user}","gists_url":"https://api.github.com/users/giovannipizzi/gists{/gist_id}","starred_url":"https://api.github.com/users/giovannipizzi/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/giovannipizzi/subscriptions","organizations_url":"https://api.github.com/users/giovannipizzi/orgs","repos_url":"https://api.github.com/users/giovannipizzi/repos","events_url":"https://api.github.com/users/giovannipizzi/events{/privacy}","received_events_url":"https://api.github.com/users/giovannipizzi/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":3,"created_at":"2016-09-01T09:41:37Z","updated_at":"2016-09-05T10:11:54Z","closed_at":null,"body":"There are a number of suggestions of missing features of the library mode, improvements and suggestions. Please reply to this issue with your comments."},"comment":{"url":"https://api.github.com/repos/wannier-developers/wannier90/issues/comments/244711044","html_url":"https://github.com/wannier-developers/wannier90/issues/2#issuecomment-244711044","issue_url":"https://api.github.com/repos/wannier-developers/wannier90/issues/2","id":244711044,"user":{"login":"jryates","id":19984219,"avatar_url":"https://avatars.githubusercontent.com/u/19984219?v=3","gravatar_id":"","url":"https://api.github.com/users/jryates","html_url":"https://github.com/jryates","followers_url":"https://api.github.com/users/jryates/followers","following_url":"https://api.github.com/users/jryates/following{/other_user}","gists_url":"https://api.github.com/users/jryates/gists{/gist_id}","starred_url":"https://api.github.com/users/jryates/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/jryates/subscriptions","organizations_url":"https://api.github.com/users/jryates/orgs","repos_url":"https://api.github.com/users/jryates/repos","events_url":"https://api.github.com/users/jryates/events{/privacy}","received_events_url":"https://api.github.com/users/jryates/received_events","type":"User","site_admin":false},"created_at":"2016-09-05T10:11:54Z","updated_at":"2016-09-05T10:11:54Z","body":"I agree with the python bindings. I don't have direct experience of doing this - but it is worth looking at https://github.com/jameskermode/f90wrap . I think the author of f90wrap would be happy to talk to us.\r\n\r\nWe wrote the original library routines as we thought it a nice idea - but without any use case in mind. I didn't manage to update them when we added the spinor functionality (actually nothing special - just book keeping). In a sense wannierlib.f90 is just a wrapper to the main wannier90 routines.\r\n\r\nBefore coding anything, I'd like to understand how the interaction with a library should work. At the moment we pass system data (crystal structure, kpoints, overlaps, projections) via the library call. And wannier specific parameters (number of steps etc) via the regular win file. Is this the right way to do it - or is there a smarter way?"}}
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