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

for more information, see https://pre-commit.ci

Author: pre-commit-ci[bot]

WFacer/convergence.py

@@ -1,4 +1,5 @@
 """Convergence checks."""
+
 import numpy as np
 from pymatgen.analysis.structure_matcher import StructureMatcher
 from smol.cofe import ClusterExpansion

WFacer/fit.py

@@ -1,4 +1,5 @@
 """Fit ECIs from Wrangler."""
+
 from warnings import warn
 
 import numpy as np

WFacer/jobs.py

@@ -1,4 +1,5 @@
 """Unitary jobs used by an atomate2 workflow."""
+
 import importlib
 import logging
 from copy import deepcopy

WFacer/maker.py

@@ -1,4 +1,5 @@
 """Automatic cluster expansion workflow maker."""
+
 from dataclasses import dataclass, field
 from warnings import warn
 

WFacer/sample_generators/mc_generators.py

@@ -1,4 +1,5 @@
 """Monte-carlo to estimate ground states and sample structures."""
+
 import itertools
 from abc import ABCMeta, abstractmethod
 from warnings import warn

WFacer/schema.py

@@ -1,4 +1,5 @@
 """Defines the standard output schema for automated cluster expansion workflows."""
+
 from typing import Any, Dict, List, Union
 
 from pydantic import BaseModel, Field

WFacer/specie_decorators/__init__.py

@@ -11,7 +11,7 @@
     PmgGuessChargeDecorator,
 )
 
-allowed_decorators = defaultdict(lambda: [])
+allowed_decorators = defaultdict(list)
 for subclass in get_subclasses(BaseDecorator).values():
     prop = subclass.decorated_prop_name
     if subclass.required_prop_names is not None:

WFacer/specie_decorators/base.py

@@ -116,7 +116,7 @@ def group_site_by_species(entries):
             defaultdict:
                (Entry index, site index) belonging to each species.
         """
-        groups_by_species = defaultdict(lambda: [])
+        groups_by_species = defaultdict(list)
 
         # These entries should not contain Vacancy.
         for e_id, entry in enumerate(entries):
@@ -249,7 +249,7 @@ def _process(self, entries, decorate_rules):
                     species_decor.append(sp)
 
             # Preserve all information.
-            site_properties = defaultdict(lambda: [])
+            site_properties = defaultdict(list)
             for site in s_undecor:
                 for p in site.properties:
                     site_properties[p].append(site.properties[p])

WFacer/utils/convex_hull.py

@@ -1,4 +1,5 @@
 """Utilities to obtain minimum energies per composition and the convex hull."""
+
 from collections import defaultdict
 
 import numpy as np

WFacer/utils/duplicacy.py

@@ -1,4 +1,5 @@
 """Check duplicacy between structures."""
+
 import numpy as np
 from pymatgen.analysis.structure_matcher import StructureMatcher
 from pymatgen.core import DummySpecies, Element, Species, Structure