From b866e4f504c285cd49a94c12bc69364dcb3035d9 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Fri, 3 Jan 2025 21:54:56 +0000 Subject: [PATCH] pre-commit auto-fixes --- tests/electronic_structure/test_dos.py | 9 ++++++--- 1 file changed, 6 insertions(+), 3 deletions(-) diff --git a/tests/electronic_structure/test_dos.py b/tests/electronic_structure/test_dos.py index 204a8b61ad5..db00e16f95c 100644 --- a/tests/electronic_structure/test_dos.py +++ b/tests/electronic_structure/test_dos.py @@ -13,7 +13,7 @@ from pymatgen.core import Element, Structure from pymatgen.electronic_structure.core import Orbital, OrbitalType, Spin -from pymatgen.electronic_structure.dos import DOS, CompleteDos, FermiDos, LobsterCompleteDos, Dos +from pymatgen.electronic_structure.dos import DOS, CompleteDos, Dos, FermiDos, LobsterCompleteDos from pymatgen.util.testing import TEST_FILES_DIR, PymatgenTest TEST_DIR = f"{TEST_FILES_DIR}/electronic_structure/dos" @@ -112,12 +112,15 @@ def test_get_vbm_cbm_doping(self): }, efermi=0.8, ) - fermi_dos = FermiDos(dos, structure=self.dos.structure,) + fermi_dos = FermiDos( + dos, + structure=self.dos.structure, + ) assert fermi_dos.get_cbm_vbm() == (1.5, 0.5) assert np.isclose( fermi_dos.get_doping(fermi_level=1.0, temperature=300), -1385561583858093.5, # <0 because e doping; greater DOS in CBM than VBM here, and efermi set to mid-gap - rtol=1e-3 + rtol=1e-3, )