From 517707c522fb2e8e93bc3a437ec93f3ee52346a6 Mon Sep 17 00:00:00 2001 From: JaGeo Date: Fri, 21 Jul 2023 18:12:56 +0200 Subject: [PATCH] Fix linting --- src/atomate2/forcefields/flows/phonons.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/atomate2/forcefields/flows/phonons.py b/src/atomate2/forcefields/flows/phonons.py index cadcad884f..254c30244a 100644 --- a/src/atomate2/forcefields/flows/phonons.py +++ b/src/atomate2/forcefields/flows/phonons.py @@ -129,7 +129,9 @@ class PhononMaker(Maker): prefer_90_degrees: bool = True get_supercell_size_kwargs: dict = field(default_factory=dict) use_symmetrized_structure: str | None = None - bulk_relax_maker: BaseVaspMaker | None = field(default_factory=lambda: CHGNetRelaxMaker(relax_kwargs={"fmax":0.0005})) + bulk_relax_maker: BaseVaspMaker | None = field( + default_factory=lambda: CHGNetRelaxMaker(relax_kwargs={"fmax": 0.0005}) + ) static_energy_maker: BaseVaspMaker | None = field(default_factory=CHGNetStaticMaker) phonon_displacement_maker: BaseVaspMaker = field(default_factory=CHGNetStaticMaker) create_thermal_displacements: bool = True