From 1931b80fc5bcb193867fb85c05bfdd5926161e9d Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 5 Dec 2024 16:05:22 +0100 Subject: [PATCH] Fixing trexio import --- scripts/qp_import_trexio.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/scripts/qp_import_trexio.py b/scripts/qp_import_trexio.py index 4c153a29..d75d0074 100755 --- a/scripts/qp_import_trexio.py +++ b/scripts/qp_import_trexio.py @@ -253,7 +253,7 @@ def write_ezfio(trexio_filename, filename): print(basis_type) except: - raise + basis_type = "None" print("None") ezfio.set_ao_basis_ao_cartesian(True)