Merge branch 'copilot' of github.com:pyiron/pylammpsmpi into copilot

pylammpsmpi/wrapper/base.py

@@ -3,6 +3,7 @@
 # Distributed under the terms of "New BSD License", see the LICENSE file.
 
 from typing import List, Union
+
 from pylammpsmpi.wrapper.concurrent import LammpsConcurrent
 
 __author__ = "Sarath Menon, Jan Janssen"
@@ -178,8 +179,13 @@ def reset_box(self, *args) -> None:
         _ = super().reset_box(*args).result()
 
     def generate_atoms(
-        self, ids: List[int] = None, type: List[int] = None, x: List[float] = None,
-        v: List[float] = None, image: List[int] = None, shrinkexceed: bool = False
+        self,
+        ids: List[int] = None,
+        type: List[int] = None,
+        x: List[float] = None,
+        v: List[float] = None,
+        image: List[int] = None,
+        shrinkexceed: bool = False,
     ) -> None:
         """
         Create atoms on all procs
@@ -215,9 +221,16 @@ def generate_atoms(
             .result()
         )
 
-    def create_atoms(self, n: int, id: List[int], type: List[int], x: List[float],
-                     v: List[float] = None, image: List[int] = None,
-                     shrinkexceed: bool = False) -> None:
+    def create_atoms(
+        self,
+        n: int,
+        id: List[int],
+        type: List[int],
+        x: List[float],
+        v: List[float] = None,
+        image: List[int] = None,
+        shrinkexceed: bool = False,
+    ) -> None:
         """
         Create atoms on all procs
 

pylammpsmpi/wrapper/concurrent.py

@@ -6,7 +6,7 @@
 import sys
 from concurrent.futures import Future
 from queue import Queue
-from typing import Optional, List, Any
+from typing import Any, List, Optional
 
 from executorlib.shared import (
     MpiExecInterface,
@@ -315,7 +315,9 @@ def generate_atoms(
             ids=ids, type=type, x=x, v=v, image=image, shrinkexceed=shrinkexceed
         )
 
-    def create_atoms(self, n, id, type, x, v=None, image=None, shrinkexceed=False) -> Future:
+    def create_atoms(
+        self, n, id, type, x, v=None, image=None, shrinkexceed=False
+    ) -> Future:
         """
         Create atoms on all processors.
 

pylammpsmpi/wrapper/extended.py

@@ -3,6 +3,7 @@
 # Distributed under the terms of "New BSD License", see the LICENSE file.
 
 from typing import Any, List, Optional
+
 from pylammpsmpi.wrapper.base import LammpsConcurrent
 
 __author__ = "Sarath Menon, Jan Janssen"