Running precommit to fix formatting

tests/uq/conftest.py

@@ -1,8 +1,9 @@
 from pathlib import Path
+
 import pytest
 
-from kliff.models import KIMModel
 from kliff.dataset import Dataset
+from kliff.models import KIMModel
 
 
 @pytest.fixture(scope="session")

tests/uq/test_bootstrap_empirical.py

@@ -1,6 +1,5 @@
-import pytest
-
 import numpy as np
+import pytest
 from scipy.optimize import OptimizeResult
 
 from kliff.calculators.calculator import Calculator, _WrapperCalculator
@@ -106,7 +105,9 @@ def test_bootstrap_cas_generator(BS_1calc, calc_forces):
 
     # Test the shape of bootstrap cas samples if we specify the number of cas to generate
     ncas = ncas_forces - 1
-    bootstrap_cas_2 = bootstrap_cas_generator_empirical(nsamples, [cas_forces], ncas=ncas)
+    bootstrap_cas_2 = bootstrap_cas_generator_empirical(
+        nsamples, [cas_forces], ncas=ncas
+    )
     assert np.all(
         [
             [len(bs_cas) == ncas for bs_cas in bootstrap_cas_2[ii]]

tests/uq/test_bootstrap_nn.py

@@ -94,7 +94,9 @@ def test_bootstrap_cas_generator(BS, fingerprints):
     assert np.all(
         [len(bs_cas) == fingerprints[1] for _, bs_cas in bootstrap_cas.items()]
     ), "For each sample, generator should generate the same number of cas as the original"
-    assert BS._nsamples_prepared == nsamples, "`_nsamples_prepared` property doesn't work"
+    assert (
+        BS._nsamples_prepared == nsamples
+    ), "`_nsamples_prepared` property doesn't work"
 
     # Test the shape of bootstrap cas samples if we specify the number of cas to generate
     nfp = fingerprints[1] - 1

tests/uq/test_bootstrap_nn_separate_species.py

@@ -1,8 +1,8 @@
 import os
 from pathlib import Path
-import pytest
 
 import numpy as np
+import pytest
 
 from kliff import nn
 from kliff.calculators.calculator_torch import CalculatorTorchSeparateSpecies
@@ -93,7 +93,9 @@ def test_original_state(BS, uq_nn_orig_state_filename):
     ), "There should be 2 elements in orig_state_filename"
     # check elements
     splitted_path = os.path.splitext(uq_nn_orig_state_filename)
-    fnames = [Path(splitted_path[0] + f"_{el}" + splitted_path[1]) for el in ["Si", "C"]]
+    fnames = [
+        Path(splitted_path[0] + f"_{el}" + splitted_path[1]) for el in ["Si", "C"]
+    ]
     assert np.all(
         [str(fname) in BS.orig_state_filename for fname in fnames]
     ), "Not all original state filename are listed"