diff --git a/src/tequila/quantumchemistry/qc_base.py b/src/tequila/quantumchemistry/qc_base.py index 25685a02..305dc242 100644 --- a/src/tequila/quantumchemistry/qc_base.py +++ b/src/tequila/quantumchemistry/qc_base.py @@ -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): """ diff --git a/src/tequila/version.py b/src/tequila/version.py index 09ed92e6..862db8be 100644 --- a/src/tequila/version.py +++ b/src/tequila/version.py @@ -1,2 +1,2 @@ -__version__ = "1.9.5" +__version__ = "1.9.6dev" __author__ = "Tequila Developers "