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Fixing Pyscf_mol.from_tq() #342

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Apr 18, 2024
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Fixing Pyscf_mol.from_tq()
JdelArco98 committed Apr 18, 2024
commit 472fd1aee2ca4ec529d8828a78bc2006acf4f7ad
3 changes: 2 additions & 1 deletion src/tequila/quantumchemistry/qc_base.py
Original file line number Diff line number Diff line change
@@ -125,7 +125,8 @@ def from_tequila(cls, molecule, transformation=None, *args, **kwargs):
active_orbitals= active_orbitals,
transformation=transformation,
orbital_type=molecule.integral_manager._orbital_type,
parameters=parameters, *args, **kwargs)
parameters=parameters,
reference_orbitals= molecule.integral_manager.active_space.reference_orbitals,*args, **kwargs)

def supports_ucc(self):
"""