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fixing issues with qubit encodings and orbital optimizations (#325)
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src/tequila/quantumchemistry/qc_base.py

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@@ -559,7 +559,7 @@ def transform_orbitals(self, orbital_coefficients, *args, **kwargs):
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# can not be an instance of a specific backend (otherwise we get inconsistencies with classical methods in the backend)
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integral_manager = copy.deepcopy(self.integral_manager)
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integral_manager.transform_orbitals(U=orbital_coefficients)
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result = QuantumChemistryBase(parameters=self.parameters, integral_manager=integral_manager)
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result = QuantumChemistryBase(parameters=self.parameters, integral_manager=integral_manager, transformation=self.transformation)
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return result
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def orthonormalize_basis_orbitals(self):

src/tequila/version.py

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@@ -1,2 +1,2 @@
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__version__ = "1.9.2.dev"
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__version__ = "1.9.3"
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__author__ = "Tequila Developers "

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