def _update_atoms(self, atoms):
""" Update atoms-object, whether it is ase.Atoms or hotbit.Atoms. """
if hasattr(atoms, 'container'):
self.atoms = atoms.copy()
else:
container = container_magic(atoms)
#print 'cc',container
atoms_cont = Atoms(atoms=atoms, container=container)
self.atoms = atoms_cont.copy()
def _update_atoms(self,atoms):
""" Update atoms-object, whether it is ase.Atoms or hotbit.Atoms. """
if hasattr(atoms,'container'):
self.atoms = atoms.copy()
else:
container = container_magic(atoms)
#print 'cc',container
atoms_cont = Atoms(atoms=atoms,container=container)
self.atoms = atoms_cont.copy()