From 3306d26e0e0f08cd407df73de4f44388ebc6a919 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 31 May 2023 11:47:53 +0200 Subject: [PATCH] Fix import_trexio --- scripts/qp_import_trexio.py | 1 + 1 file changed, 1 insertion(+) 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)