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Remove unused n_min_orbitals attribute. (#218)
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alexfleury-sb authored Sep 22, 2022
1 parent 76f4123 commit 0121c27
Showing 1 changed file with 0 additions and 2 deletions.
2 changes: 0 additions & 2 deletions tangelo/toolboxes/molecular_computation/molecule.py
Original file line number Diff line number Diff line change
Expand Up @@ -91,13 +91,11 @@ class Molecule:
# Defined in __post_init__.
n_atoms: int = field(init=False)
n_electrons: int = field(init=False)
n_min_orbitals: int = field(init=False)

def __post_init__(self):
mol = self.to_pyscf()
self.n_atoms = mol.natm
self.n_electrons = mol.nelectron
self.n_min_orbitals = mol.nao_nr()

@property
def elements(self):
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