diff --git a/mordred/MolecularDistanceEdge.py b/mordred/MolecularDistanceEdge.py index 429ff17..2452606 100644 --- a/mordred/MolecularDistanceEdge.py +++ b/mordred/MolecularDistanceEdge.py @@ -1,6 +1,6 @@ from six import string_types, integer_types import warnings -from numpy import prod, float128 +from numpy import prod, longdouble from ._base import Descriptor from ._graph_matrix import Valence, DistanceMatrix @@ -92,7 +92,7 @@ def calculate(self, D, V): message="overflow encountered in reduce", category=RuntimeWarning, ) - dx = prod(Dv, dtype=float128) ** (1.0 / (2.0 * n)) + dx = prod(Dv, dtype=longdouble) ** (1.0 / (2.0 * n)) return n / (dx**2)