From 5f8f4347a801a99c8204f7b2e19c1666e9e0423d Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Sat, 23 Mar 2024 20:50:28 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- cclib/parser_properties/gbasis.py | 1 + 1 file changed, 1 insertion(+) diff --git a/cclib/parser_properties/gbasis.py b/cclib/parser_properties/gbasis.py index 1a3f8ce713..e335f6f31e 100644 --- a/cclib/parser_properties/gbasis.py +++ b/cclib/parser_properties/gbasis.py @@ -21,6 +21,7 @@ def psi4(file_handler, ccdata) -> dict | None: line = file_handler.last_line if line.strip() == "==> AO Basis Functions <==": if base_parser.check_dependencies(dependency_list, ccdata, "gbasis"): + def get_symmetry_atom_basis(parsed_gbasis): """Get symmetry atom by replicating the last atom in gbasis of the same element.""" missing_index = len(parsed_gbasis)