diff --git a/deepmd/dpmodel/utils/type_embed.py b/deepmd/dpmodel/utils/type_embed.py index cf9b31e607..2e695171d6 100644 --- a/deepmd/dpmodel/utils/type_embed.py +++ b/deepmd/dpmodel/utils/type_embed.py @@ -234,5 +234,6 @@ def get_econf_tebd(type_map, precision: str = "default"): [electronic_configuration_embedding[kk] for kk in type_map], dtype=PRECISION_DICT[precision], ) + econf_tebd /= econf_tebd.sum(-1, keepdims=True) # do normalization embed_input_dim = ECONF_DIM return econf_tebd, embed_input_dim