def plot(self, filename=None, show=None):
if self.eos_string == 'sjeos':
return EquationOfStateSJEOS.plot(self, filename, show)
else:
return EquationOfStateASE2.plot(self, filename, show)
def fit(self):
if self.eos_string == 'sjeos':
return EquationOfStateSJEOS.fit(self)
else:
return EquationOfStateASE2.fit(self)
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)
def plot(self, filename=None, show=None):
if self.eos_string == 'sjeos':
return EquationOfStateSJEOS.plot(self, filename, show)
else:
return EquationOfStateASE2.plot(self, filename, show)
def fit(self):
if self.eos_string == 'sjeos':
return EquationOfStateSJEOS.fit(self)
else:
return EquationOfStateASE2.fit(self)
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)
