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Searched refs:get_global_number_of_atoms (Results 1 – 5 of 5) sorted by relevance

/dports/science/py-ase/ase-3.22.0/ase/md/
H A Dlogger.py34 global_natoms = atoms.get_global_number_of_atoms()
76 global_natoms = self.atoms.get_global_number_of_atoms()
/dports/devel/py-cclib/cclib-1.7.1/cclib/bridge/
H A Dcclib2ase.py195 "natom": atoms.get_global_number_of_atoms(),
/dports/science/py-ase/ase-3.22.0/ase/calculators/kim/
H A Dneighborlist.py385 self.num_contributing_particles = atoms.get_global_number_of_atoms()
/dports/science/py-ase/ase-3.22.0/ase/
H A Datoms.py882 invvol = self.get_global_number_of_atoms() / self.get_volume()
971 def get_global_number_of_atoms(self): member in Atoms
/dports/science/py-ase/ase-3.22.0/ase/io/
H A Dbundletrajectory.py165 'natoms': atoms.get_global_number_of_atoms(),