Пример #1
0
 def __init__(self, volumes, energies, eos='sjeos'):
     if eos == 'sjeos':
         EquationOfStateSJEOS.__init__(self, volumes, energies, eos)
     else:
         # old ASE2 implementation
         EquationOfStateASE2.__init__(self, volumes, energies, eos)
Пример #2
0
 def __init__(self, volumes, energies, eos='sjeos'):
     if eos == 'sjeos':
         EquationOfStateSJEOS.__init__(self, volumes, energies, eos)
     else:
         # old ASE2 implementation
         EquationOfStateASE2.__init__(self, volumes, energies, eos)