move import to top

ACEsuit · Jun 6, 2024 · 252df53 · 252df53
1 parent 8e7bdd7
commit 252df53
Showing 1 changed file with 6 additions and 6 deletions.
diff --git a/mace/cli/preprocess_data_mpi.py b/mace/cli/preprocess_data_mpi.py
@@ -19,12 +19,17 @@
 from mace.data.utils import save_configurations_as_HDF5, config_from_atoms, Configurations
 from mace.modules import compute_statistics
 from mace.tools import torch_geometric
-from mace.tools.scripts_utils import get_atomic_energies, get_dataset_from_xyz, SubsetCollection
+from mace.tools.scripts_utils import get_atomic_energies, SubsetCollection
 from mace.tools.utils import AtomicNumberTable
 
 from ase.io import iread
 from ase import Atoms
 
+from mpi4py import MPI
+from itertools import islice
+from collections.abc import Iterable
+from typing import Generator
+
 
 def compute_stats_target(
     file: str,
@@ -95,11 +100,6 @@ def get_prime_factors(n: int):
     return factors
 
 
-from mpi4py import MPI
-from itertools import islice
-from collections.abc import Iterable
-from typing import Generator
-
 # def chunkify(iterable: Iterable, chunk_size: int) -> Generator:
 #     """
 #     Splits an iterable into chunks of a specified size.