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Searched refs:set_common_origin (Results 1 – 3 of 3) sorted by relevance

/dports/science/py-pyscf/pyscf-2.0.1/examples/agf2/
H A D02-dfagf2.py41 mol.set_common_origin([0,0,0])
/dports/science/py-pyscf/pyscf-2.0.1/examples/gto/
H A D20-ao_integrals.py44 mol.set_common_origin([0,0,0]) # Set gauge origin before computing dipole integrals
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/gto/
H A Dmole.py2635 def set_common_origin(self, coord): member in Mole
2646 set_common_orig = set_common_origin
2661 return self._TemporaryMoleContext(self.set_common_origin, (coord,), (coord0,))