From fa96565ed62c6deabf38b7bad6fd00079d027aec Mon Sep 17 00:00:00 2001
From: jmusiel <73840022+jmusiel@users.noreply.github.com>
Date: Mon, 13 Feb 2023 15:10:48 -0500
Subject: [PATCH] black

---
 examples/N2H_Ag111_dissociation/N2H_Ag111.py            | 1 -
 examples/beef/online_al_beef_example.py                 | 1 -
 examples/online_al/online_al_example.py                 | 1 -
 examples/quantum_espresso/qe_gpu_online_al_example.py   | 1 -
 finetuna/atomistic_methods.py                           | 3 ++-
 finetuna/finetuner_utils/utils.py                       | 1 +
 finetuna/ml_potentials/finetuner_ensemble_calc.py       | 1 -
 finetuna/mongo.py                                       | 1 -
 finetuna/ocp_models/gemnet_t/int_descriptor_gemnet_t.py | 1 -
 9 files changed, 3 insertions(+), 8 deletions(-)

diff --git a/examples/N2H_Ag111_dissociation/N2H_Ag111.py b/examples/N2H_Ag111_dissociation/N2H_Ag111.py
index c7f2e87d..74084acd 100644
--- a/examples/N2H_Ag111_dissociation/N2H_Ag111.py
+++ b/examples/N2H_Ag111_dissociation/N2H_Ag111.py
@@ -7,7 +7,6 @@
 from finetuna.utils import calculate_surface_k_points
 
 if __name__ == "__main__":
-
     traj = Trajectory("N2H_Ag111.traj")  # change this path to your trajectory file
 
     ml_potential = FinetunerCalc(
diff --git a/examples/beef/online_al_beef_example.py b/examples/beef/online_al_beef_example.py
index 553cbd33..c438d452 100644
--- a/examples/beef/online_al_beef_example.py
+++ b/examples/beef/online_al_beef_example.py
@@ -71,7 +71,6 @@
     vasp_inputs["ibrion"] = -1
 
     with VaspInteractive(**vasp_inputs) as parent_calc:
-
         learner = OnlineLearner(
             learner_params={
                 "query_every_n_steps": 100,
diff --git a/examples/online_al/online_al_example.py b/examples/online_al/online_al_example.py
index 1b060a84..657862e8 100644
--- a/examples/online_al/online_al_example.py
+++ b/examples/online_al/online_al_example.py
@@ -7,7 +7,6 @@
 from finetuna.utils import calculate_surface_k_points
 
 if __name__ == "__main__":
-
     traj = Trajectory("random1447590.traj")  # change this path to your trajectory file
 
     ml_potential = FinetunerCalc(
diff --git a/examples/quantum_espresso/qe_gpu_online_al_example.py b/examples/quantum_espresso/qe_gpu_online_al_example.py
index 41da0807..a63e9863 100644
--- a/examples/quantum_espresso/qe_gpu_online_al_example.py
+++ b/examples/quantum_espresso/qe_gpu_online_al_example.py
@@ -15,7 +15,6 @@
 import os
 
 if __name__ == "__main__":
-
     traj = Trajectory("ch3_cu_final.traj")  # change this path to your trajectory file
 
     ml_potential = FinetunerCalc(
diff --git a/finetuna/atomistic_methods.py b/finetuna/atomistic_methods.py
index 82cd844d..a50bfa62 100644
--- a/finetuna/atomistic_methods.py
+++ b/finetuna/atomistic_methods.py
@@ -23,7 +23,8 @@ def __init__(self, starting_images, intermediate_samples=3):
         ----------
         starting_images: list. Initial and final images to be used for the NEB.
 
-        intermediate_samples: int. Number of intermediate samples to be used in constructing the NEB"""
+        intermediate_samples: int. Number of intermediate samples to be used in constructing the NEB
+        """
 
         self.starting_images = copy.deepcopy(starting_images)
         self.intermediate_samples = intermediate_samples
diff --git a/finetuna/finetuner_utils/utils.py b/finetuna/finetuner_utils/utils.py
index 3ed77c05..4c1424ee 100644
--- a/finetuna/finetuner_utils/utils.py
+++ b/finetuna/finetuner_utils/utils.py
@@ -26,6 +26,7 @@ def close_db(self):
 from ocpmodels.common.registry import registry
 from ocpmodels.models.gemnet.gemnet import GemNetT
 
+
 # imported in __init__.py
 @registry.register_model("gemnet_t_uncertainty")
 class GemNetTUncertainty(GemNetT):
diff --git a/finetuna/ml_potentials/finetuner_ensemble_calc.py b/finetuna/ml_potentials/finetuner_ensemble_calc.py
index d9acf622..1ec513d0 100644
--- a/finetuna/ml_potentials/finetuner_ensemble_calc.py
+++ b/finetuna/ml_potentials/finetuner_ensemble_calc.py
@@ -48,7 +48,6 @@ def __init__(
         checkpoint_paths: "list[str]",
         mlp_params: dict = {},
     ) -> None:
-
         # self.model_classes = model_classes
         # self.model_paths = model_paths
         self.checkpoint_paths = checkpoint_paths
diff --git a/finetuna/mongo.py b/finetuna/mongo.py
index 36aec6a1..a72b89c3 100644
--- a/finetuna/mongo.py
+++ b/finetuna/mongo.py
@@ -200,7 +200,6 @@ def _make_results_dict(atoms):
     # Results. This may duplicate information in the calculator,
     # but we have no control on what the calculator does.
     if calculator:
-
         if not calculator.calculation_required(atoms, ["energy"]):
             results_dict["energy"] = atoms.get_potential_energy(apply_constraint=False)
 
diff --git a/finetuna/ocp_models/gemnet_t/int_descriptor_gemnet_t.py b/finetuna/ocp_models/gemnet_t/int_descriptor_gemnet_t.py
index 97c47423..87d0c93b 100644
--- a/finetuna/ocp_models/gemnet_t/int_descriptor_gemnet_t.py
+++ b/finetuna/ocp_models/gemnet_t/int_descriptor_gemnet_t.py
@@ -21,7 +21,6 @@ def __init__(
         checkpoint_path,
         cpu=True,
     ):
-
         if cpu:
             map_location = torch.device("cpu")
         else: