From 70328d108525aec6cb0fda31f5eb4c45e9fc9bec Mon Sep 17 00:00:00 2001 From: pyiron-runner Date: Sun, 31 Dec 2023 09:27:41 +0000 Subject: [PATCH] Format black --- pyiron_atomistics/sphinx/base.py | 14 ++++++++++---- 1 file changed, 10 insertions(+), 4 deletions(-) diff --git a/pyiron_atomistics/sphinx/base.py b/pyiron_atomistics/sphinx/base.py index f01818491..80f2c7084 100644 --- a/pyiron_atomistics/sphinx/base.py +++ b/pyiron_atomistics/sphinx/base.py @@ -41,7 +41,9 @@ SphinxLogParser, ) from pyiron_atomistics.sphinx.input_writer import ( - write_spin_constraints, copy_potentials, Group + write_spin_constraints, + copy_potentials, + Group, ) from pyiron_atomistics.sphinx.util import sxversions from pyiron_atomistics.sphinx.volumetric_data import SphinxVolumetricData @@ -1423,13 +1425,17 @@ def write_input(self): self.input.sphinx.main, ] - if self._generic_input["fix_spin_constraint"] and self.structure.has("initial_magmoms"): + if self._generic_input["fix_spin_constraint"] and self.structure.has( + "initial_magmoms" + ): self.input.sphinx.spinConstraint = Group() all_groups.append(self.input.sphinx.spinConstraint) write_spin_constraints( cwd=self.working_directory, - magmoms=self.structure.get_initial_magnetic_moments()[self.id_pyi_to_spx], - constraints=self.structure.spin_constraint[self.id_pyi_to_spx] + magmoms=self.structure.get_initial_magnetic_moments()[ + self.id_pyi_to_spx + ], + constraints=self.structure.spin_constraint[self.id_pyi_to_spx], ) self.input.sphinx.spinConstraint.setdefault("file", '"spins.in"')