From 9bc76f0b22b23a907ae22c2313ac3096f54ad282 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Wed, 1 Sep 2021 16:22:25 -0400 Subject: [PATCH] reduce `rcut` and `sel` in the example of `se_e3` See #1062. --- examples/water/se_e3/input.json | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) 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,