From 8e54ffec1fb7523742a5d72e20895d3aaaba06bc Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 18 Dec 2023 00:50:54 +0000 Subject: [PATCH] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- tests/test_molecule.py | 1 + 1 file changed, 1 insertion(+) diff --git a/tests/test_molecule.py b/tests/test_molecule.py index 818a902..2130169 100644 --- a/tests/test_molecule.py +++ b/tests/test_molecule.py @@ -40,6 +40,7 @@ def test_run_pyscf_molecule_xyz(): assert lih.e_hf == pytest.approx(lih_ref_energy) + def test_run_pyscf_molecule_xyz_charged(): path = "./tests/data/h2.xyz" check_file = os.path.exists(path)