{"push_id":899390671,"size":3,"distinct_size":3,"ref":"refs/heads/master","head":"a4315e2d8c8ce31fc2e59e51fe811b4e84360d4e","before":"f2f328bbf444595e8e6917c2ce99470a73b63aaf","commits":[{"sha":"c7d47454b0baa57632b591a0e11c2ed21279598a","author":{"email":"dd3b6677fb358e84c8ac7b038f986293283b97e9@physics.org","name":"Adam J. Jackson"},"message":"BUG: Failure to read output from ASE-generated FHI-aims output\n\nThe function to read AIMS calculator parameters was removed in\ncommit 9eee81310327c60a95fbfecf4d85ad01b2d4efa8 but a reference\nremained to the function, causing import of some files to fail.\nThis case has been removed in this commit to prevent the bug;\nideally the long-term solution is to restore the functionality.","distinct":true,"url":"https://api.github.com/repos/rosswhitfield/ase/commits/c7d47454b0baa57632b591a0e11c2ed21279598a"},{"sha":"752f478358ca084055d5f8c1dd573fc0dd07b3da","author":{"email":"dd3b6677fb358e84c8ac7b038f986293283b97e9@physics.org","name":"Adam J. Jackson"},"message":"BUG: Multiple images from FHI-aims output","distinct":true,"url":"https://api.github.com/repos/rosswhitfield/ase/commits/752f478358ca084055d5f8c1dd573fc0dd07b3da"},{"sha":"a4315e2d8c8ce31fc2e59e51fe811b4e84360d4e","author":{"email":"05223a3c6bdf76af6f84755eae231abeebcf4530@fysik.dtu.dk","name":"Jens Jørgen Mortensen"},"message":"Merge branch 'aims-missing-calculator' into 'master'\r\n\r\nBUG: Importing from FHI-aims output\r\n\r\nTwo small fixes for the import of FHI-aims output files.\r\n\r\n1. Where the input files were generated with ASE, the output file reader uses the string \"List of parameters used to initialize the calculator:\" to identify this and attempts to parse the control parameters.\r\nHowever, the function which does this was removed in commit 9eee8131 and so this leads to an error. For now I have simply removed this check to prevent the error; a more sustainable solution would be to re-implement the parsing functionality.\r\n\r\n2. The FHI-aims output includes multiple images in the case of relaxation and MD calculations. I have set the flag accordingly in io/formats.py so that, for example, relaxations can easily be studied with ase-gui.\r\n\r\nSee merge request !94","distinct":true,"url":"https://api.github.com/repos/rosswhitfield/ase/commits/a4315e2d8c8ce31fc2e59e51fe811b4e84360d4e"}]}