Update inter.py

Author: KuangYu

dmff/classical/inter.py

@@ -49,7 +49,7 @@ def get_LJ_energy(dr_vec, sig, eps, box):
             if self.isSwitch:
                 x = (dr_norm - self.r_switch) / (self.r_cut - self.r_switch)
                 S = 1 - 6. * x ** 5 + 15. * x ** 4 - 10. * x ** 3
-                jnp.where(dr_norm > self.r_switch, E, E * S)
+                E = jnp.where(dr_norm > self.r_switch, E, E * S)
                 E = jnp.where(dr_norm >= self.r_cut, 0., E)
 
             return E