예제 #1
0
 def interactive_fetch(self):
     if self._interactive_fetch_completed and self.server.run_mode.interactive_non_modal:
         print('First run and then fetch')
     else:
         self._interactive_check_output()
         self._interactive_vasprun = Outcar()
         super(VaspInteractive, self).interactive_collect()
         self._logger.debug('interactive run - done')
예제 #2
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 def setUp(self):
     self.file_location = os.path.dirname(os.path.abspath(__file__))
     self.file_list = list()
     self.outcar_parser = Outcar()
     # file_list = ["OUTCAR_1", "OUTCAR_2", "OUTCAR_3", "OUTCAR_4", "OUTCAR_5", "OUTCAR_6", "OUTCAR_7"]
     file_list = os.listdir(os.path.abspath(os.path.join(self.file_location,
                                                         "../static/vasp_test_files/outcar_samples")))
     for f in file_list:
         direc = os.path.abspath(os.path.join(self.file_location,
                                              "../static/vasp_test_files/outcar_samples"))
         filename = posixpath.join(direc, f)
         self.file_list.append(filename)
예제 #3
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 def run_if_interactive(self):
     self.run_if_interactive_non_modal()
     self._interactive_check_output()
     self._interactive_vasprun = Outcar()
     self.interactive_collect()