{"action":"created","issue":{"url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/501","repository_url":"https://api.github.com/repos/QMCPACK/qmcpack","labels_url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/501/labels{/name}","comments_url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/501/comments","events_url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/501/events","html_url":"https://github.com/QMCPACK/qmcpack/issues/501","id":274283646,"number":501,"title":"pw2qmcpack converter (5.1) does not overwrite a wave function file","user":{"login":"kylanpaa","id":27293585,"avatar_url":"https://avatars3.githubusercontent.com/u/27293585?v=4","gravatar_id":"","url":"https://api.github.com/users/kylanpaa","html_url":"https://github.com/kylanpaa","followers_url":"https://api.github.com/users/kylanpaa/followers","following_url":"https://api.github.com/users/kylanpaa/following{/other_user}","gists_url":"https://api.github.com/users/kylanpaa/gists{/gist_id}","starred_url":"https://api.github.com/users/kylanpaa/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/kylanpaa/subscriptions","organizations_url":"https://api.github.com/users/kylanpaa/orgs","repos_url":"https://api.github.com/users/kylanpaa/repos","events_url":"https://api.github.com/users/kylanpaa/events{/privacy}","received_events_url":"https://api.github.com/users/kylanpaa/received_events","type":"User","site_admin":false},"labels":[{"id":516230984,"url":"https://api.github.com/repos/QMCPACK/qmcpack/labels/question","name":"question","color":"cc317c","default":true}],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":2,"created_at":"2017-11-15T19:54:36Z","updated_at":"2017-11-16T13:13:12Z","closed_at":null,"author_association":"NONE","body":"The pw2qmcpack converter version 5.1 does not seem to overwrite/update a pwscf.pwscf.h5 file if one already exists. Do you know what is the behaviour in the newer versions?"},"comment":{"url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/comments/344918670","html_url":"https://github.com/QMCPACK/qmcpack/issues/501#issuecomment-344918670","issue_url":"https://api.github.com/repos/QMCPACK/qmcpack/issues/501","id":344918670,"user":{"login":"jtkrogel","id":24547905,"avatar_url":"https://avatars3.githubusercontent.com/u/24547905?v=4","gravatar_id":"","url":"https://api.github.com/users/jtkrogel","html_url":"https://github.com/jtkrogel","followers_url":"https://api.github.com/users/jtkrogel/followers","following_url":"https://api.github.com/users/jtkrogel/following{/other_user}","gists_url":"https://api.github.com/users/jtkrogel/gists{/gist_id}","starred_url":"https://api.github.com/users/jtkrogel/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/jtkrogel/subscriptions","organizations_url":"https://api.github.com/users/jtkrogel/orgs","repos_url":"https://api.github.com/users/jtkrogel/repos","events_url":"https://api.github.com/users/jtkrogel/events{/privacy}","received_events_url":"https://api.github.com/users/jtkrogel/received_events","type":"User","site_admin":false},"created_at":"2017-11-16T13:13:12Z","updated_at":"2017-11-16T13:13:12Z","author_association":"CONTRIBUTOR","body":"Perhaps the correct behavior is to detect if an h5 file is already present and then abort if that is the case.  \r\n\r\nThe current situation was brought about by copying an old directory to have starting inputs for a different/new run (probably not rare to try this), changing the scf inputs, and then running pw2qmcpack with the intent of obtaining an h5 file corresponding to the current scf run.  IMO this situation should generate an abort rather than silently passing over the fact that a new h5 file was not created."}}
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