diff --git a/miko/structure/coordination_number.py b/miko/structure/coordination_number.py index f45c9e5..675c346 100644 --- a/miko/structure/coordination_number.py +++ b/miko/structure/coordination_number.py @@ -40,6 +40,7 @@ def __init__(self, m: int = 12, box: Optional[NDArray] = None, switch_function: Optional[Callable] = None, + mean: bool = True, **kwargs): super(CoordinationNumber, self).__init__( g1.universe.trajectory, @@ -53,6 +54,7 @@ def __init__(self, self.m = m self.box = box self.switch_function = switch_function + self.mean = mean def _prepare(self): @@ -71,6 +73,7 @@ def _single_frame(self): n=self.n, m=self.m, box=self.box, - switch_function=self.switch_function + switch_function=self.switch_function, + mean=self.mean ) )