def get_forces(self, atoms):
if ('compute_forces' not in self.parameters
and 'sc_accuracy_forces' not in self.parameters):
raise PropertyNotImplementedError
return FileIOCalculator.get_forces(self, atoms)
def get_forces(self, atoms):
if not self.parameters.get('tforce'):
raise PropertyNotImplementedError
return FileIOCalculator.get_forces(self, atoms)
def get_forces(self, atoms):
if ('compute_forces' not in self.parameters and
'sc_accuracy_forces' not in self.parameters):
raise NotImplementedError
return FileIOCalculator.get_forces(self, atoms)
def get_forces(self, atoms):
if not self.parameters.get('tforce'):
raise NotImplementedError
return FileIOCalculator.get_forces(self, atoms)
def get_forces(self, atoms=None):
self.parameters['write_forces'] = True
return FileIOCalculator.get_forces(self, atoms)
def get_forces(self, atoms=None):
self.parameters['write_forces'] = True
return FileIOCalculator.get_forces(self, atoms)
def get_forces(self, atoms):
return FileIOCalculator.get_forces(self, atoms)
