def get_stress(self, atoms):
if ('compute_numerical_stress' not in self.parameters and
'compute_analytical_stress' not in self.parameters):
raise NotImplementedError
return FileIOCalculator.get_stress(self, atoms)
def get_stress(self, atoms):
if ('compute_numerical_stress' not in self.parameters
and 'compute_analytical_stress' not in self.parameters):
raise PropertyNotImplementedError
return FileIOCalculator.get_stress(self, atoms)
def get_stress(self, atoms):
if self.calculate_forces and self.pbc:
return FileIOCalculator.get_stress(self, atoms)
else:
raise PropertyNotImplementedError
