From 3812da33d71095f7a5858a09f3249ef93b13c2f1 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 28 Aug 2023 15:21:03 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- examples/gaussian_datatypes/gdt_data.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/examples/gaussian_datatypes/gdt_data.py b/examples/gaussian_datatypes/gdt_data.py index 74f0466e..3ae4619a 100644 --- a/examples/gaussian_datatypes/gdt_data.py +++ b/examples/gaussian_datatypes/gdt_data.py @@ -74,7 +74,9 @@ def load_data(prefix="MY-"): p.element: p for p in Pseudo.from_cp2k(fhandle_pseudo, duplicate_handling="error") } - except UniquenessError: # if the user already ran the script, fetch the data from the db instead + except ( + UniquenessError + ): # if the user already ran the script, fetch the data from the db instead bsets = { "H": BasisSet.get("H", f"{prefix}AUTO-DZVP-MOLOPT-GTH"), "O": BasisSet.get("O", f"{prefix}AUTO-DZVP-MOLOPT-SR-GTH"),