diff --git a/examples/water/se_e3/input.json b/examples/water/se_e3/input.json index f91ccad83c..4b62f4435b 100644 --- a/examples/water/se_e3/input.json +++ b/examples/water/se_e3/input.json @@ -4,9 +4,9 @@ "type_map": ["O", "H"], "descriptor" :{ "type": "se_e3", - "sel": [40, 80], + "sel": "auto", "rcut_smth": 0.50, - "rcut": 6.00, + "rcut": 5.80, "neuron": [2, 4, 8], "resnet_dt": false, "seed": 1,