[pre-commit.ci] auto fixes from pre-commit.com hooks

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nanotech-empa · Sep 25, 2024 · bec152d · bec152d
1 parent 84256d6
commit bec152d
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Showing 2 changed files with 4 additions and 1 deletion.
diff --git a/aiida_nanotech_empa/workflows/gaussian/nics_workchain.py b/aiida_nanotech_empa/workflows/gaussian/nics_workchain.py
@@ -6,6 +6,7 @@
 from .relax_workchain import GaussianRelaxWorkChain
 from .scf_workchain import GaussianScfWorkChain
 
+
 @engine.calcfunction
 def prepare_nmr_structure(structure, height):
     ase_geo = structure.get_ase()

diff --git a/examples/workflows/example_gaussian_nics.py b/examples/workflows/example_gaussian_nics.py
@@ -1,4 +1,5 @@
 import pathlib
+
 import click
 import numpy as np
 from aiida import engine, orm
@@ -10,7 +11,8 @@
 
 GaussianNicsWorkChain = WorkflowFactory("nanotech_empa.gaussian.nics")
 DATA_DIR = pathlib.Path(__file__).parent.absolute()
-GEO_FILE="naphthalene.xyz"
+GEO_FILE = "naphthalene.xyz"
+
 
 def _example_gaussian_nics(gaussian_code, opt):
     # Check test geometry is already in database.