diff --git a/src/molecule.py b/src/molecule.py index 644b05dfd..ef3fb54dd 100644 --- a/src/molecule.py +++ b/src/molecule.py @@ -3170,7 +3170,7 @@ def read_dcd(self, fnm, **kwargs): elif result == -1: break #npa = np.array(xyzvec) - xyz = np.asfarray(xyzvec) + xyz = np.asarray(xyzvec, dtype=float) xyzs.append(xyz.reshape(-1, 3)) boxes.append(BuildLatticeFromLengthsAngles(ts.A, ts.B, ts.C, 90.0, 90.0, 90.0)) _dcdlib.close_file_read(dcd)