Exemple #1
0
 def __init__(self, project, job_name):
     super(SxUniqDispl, self).__init__(project, job_name)
     self.__version__ = "0.1"
     self.__name__ = "SxUniqDispl"
     self.input = GenericParameters(table_name="displacement")
     self.input["displacement"] = 0.01
     self.structure_lst = []
Exemple #2
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 def __init__(self, project, job_name):
     self.input = GenericParameters("parameters")
     super(ParallelMaster, self).__init__(project, job_name=job_name)
     self.__name__ = "ParallelMaster"
     self.__version__ = "0.3"
     self._ref_job = None
     self._output = GenericOutput()
     self._job_generator = None
     self.submission_status = SubmissionStatus(db=project.db, job_id=self.job_id)
     self.refresh_submission_status()
Exemple #3
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 def get_custom_dict():
     folder = Path('.').cwd().parts[-1]
     hdf_file = Path('.').cwd().parents[1]/folder
     hdf_file = str(hdf_file)+'.h5'
     if Path(hdf_file).exists():
         hdf = FileHDFio(hdf_file)
         custom_dict = GenericParameters()
         for k, v in zip(hdf[folder+'/input/custom_dict/data_dict']['Parameter'],
                         hdf[folder+'/input/custom_dict/data_dict']['Value']):
             custom_dict[k] = v
         return custom_dict
     else:
         print(hdf_file, 'not found')
         return None