Exemplo n.º 1
0
 def __init__(self, **kwargs):
     """Please not modify this init method."""
     allowed_keys = {
         'name' : (str, str(), 'Name of directory'),
         'program': (str, str(), 'Program, e.g. "vasp"'),
         'program_keys': (dict, dict(), 'Dictionary of program keywords'),
         'structure': (Structure, None, 'Pymatgen Structure object')
         }
     BaseIngredient.__init__(self, allowed_keys, **kwargs)
Exemplo n.º 2
0
 def __init__(self, **kwargs):
     """Please not modify this init method."""
     allowed_keys = {
         'name': (str, str(), 'Name of directory'),
         'program': (str, str(), 'Program, e.g. "vasp"'),
         'program_keys': (dict, dict(), 'Dictionary of program keywords'),
         'structure': (Structure, None, 'Pymatgen Structure object')
     }
     BaseIngredient.__init__(self, allowed_keys, **kwargs)