Changes at lines 664-667 solve a bug where ase-espresso would fail if a filename without a leading slash is provided in the "txt" argument to the initializer (initialize self.sdir before using it). Change in line 706 makes ase-espresso actually use the filename provided by the user, otherwise it gets ignored.
Changes at lines 664-667 solve a bug where ase-espresso would fail if a filename without a leading slash is provided in the "txt" argument to the initializer (initialize self.sdir before using it). Change in line 706 makes ase-espresso actually use the filename provided by the user, otherwise it gets ignored.