From c2eda929aab35daa1a12485cb09b77a41904a69e Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Thu, 17 Jun 2021 19:28:06 -0400 Subject: [PATCH] only add inputs_zero node if atom_ener exists --- deepmd/fit/ener.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/deepmd/fit/ener.py b/deepmd/fit/ener.py index 2708aa7621..03145076cb 100644 --- a/deepmd/fit/ener.py +++ b/deepmd/fit/ener.py @@ -357,7 +357,9 @@ def build (self, initializer = tf.constant_initializer(self.aparam_inv_std)) inputs = tf.cast(tf.reshape(inputs, [-1, self.dim_descrpt * natoms[0]]), self.fitting_precision) - inputs_zero = tf.zeros_like(inputs, dtype=GLOBAL_TF_FLOAT_PRECISION) + if len(self.atom_ener): + # only for atom_ener + inputs_zero = tf.zeros_like(inputs, dtype=GLOBAL_TF_FLOAT_PRECISION) if bias_atom_e is not None :