Added optional argument box to pbc_points

src/mdevaluate/pbc.py

@@ -8,6 +8,7 @@ from numpy.typing import ArrayLike, NDArray
 from itertools import product
 
 from .logging import logger
+
 if TYPE_CHECKING:
     from mdevaluate.coordinates import CoordinateFrame
 
@@ -179,6 +180,7 @@ def nojump(frame: CoordinateFrame, usecache: bool = True) -> CoordinateFrame:
 
 def pbc_points(
     coordinates: CoordinateFrame,
+    box: Optional[NDArray] = None,
     thickness: Optional[float] = None,
     index: bool = False,
     shear: bool = False,
@@ -191,6 +193,7 @@ def pbc_points(
     index=True also returns the indices with indices of images being their
     original values.
     """
+    if box is None:
         box = coordinates.box
     if shear:
         box[2, 0] = box[2, 0] % box[0, 0]