diff --git a/bin/qp_convert_output_to_ezfio b/bin/qp_convert_output_to_ezfio index 091423e4..0523b6a7 100755 --- a/bin/qp_convert_output_to_ezfio +++ b/bin/qp_convert_output_to_ezfio @@ -256,6 +256,7 @@ def write_ezfio(res, filename): MoTag = res.determinants_mo_type ezfio.set_mo_basis_mo_label('Orthonormalized') + ezfio.set_determinants_mo_label('Orthonormalized') MO_type = MoTag allMOs = res.mo_sets[MO_type]