diff --git a/m3gnet/utils/_math.py b/m3gnet/utils/_math.py index 064bdb6..f48beae 100644 --- a/m3gnet/utils/_math.py +++ b/m3gnet/utils/_math.py @@ -231,7 +231,7 @@ def _calculate_symbolic_funcs(self): funcs = [i.subs({theta: sympy.acos(costheta)}) for i in funcs] self.orig_funcs = [sympy.simplify(i).evalf() for i in funcs] results = [ - sympy.lambdify([costheta, phi], i, [{"conjugate": _conjugate}, "tensorflow"]) for i in self.orig_funcs + sympy.lambdify([costheta, phi], i, [{"conjugate": sympy.conjugate}, "tensorflow"]) for i in self.orig_funcs ] results[0] = _y00 return results