diff --git a/scripts/qp_import_trexio.py b/scripts/qp_import_trexio.py index e7bc0f78..89096387 100755 --- a/scripts/qp_import_trexio.py +++ b/scripts/qp_import_trexio.py @@ -340,6 +340,7 @@ def write_ezfio(trexio_filename, filename): except: label = "None" ezfio.set_mo_basis_mo_label(label) + ezfio.set_determinants_mo_label(label) try: clss = trexio.read_mo_class(trexio_file)