From 49a10a9e377f8d656027d87742aec46589ce46e5 Mon Sep 17 00:00:00 2001 From: Han Wang Date: Tue, 30 Jan 2024 08:50:07 +0800 Subject: [PATCH] fix duplicated lines. fix use_tebd that is deprecated. --- deepmd/pt/model/model/dp_atomic_model.py | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/deepmd/pt/model/model/dp_atomic_model.py b/deepmd/pt/model/model/dp_atomic_model.py index 245c0f3d3f..a222c8e6f6 100644 --- a/deepmd/pt/model/model/dp_atomic_model.py +++ b/deepmd/pt/model/model/dp_atomic_model.py @@ -93,11 +93,11 @@ def __init__( ) fitting_net["type"] = fitting_net.get("type", "ener") - if self.descriptor_type not in ["se_e2_a"]: - fitting_net["ntypes"] = self.descriptor.get_ntype() + fitting_net["ntypes"] = self.descriptor.get_ntype() + if self.descriptor_type in ["se_e2_a"]: + fitting_net["distinguish_types"] = True else: - fitting_net["ntypes"] = self.descriptor.get_ntype() - fitting_net["use_tebd"] = False + fitting_net["distinguish_types"] = False fitting_net["embedding_width"] = self.descriptor.dim_out self.grad_force = "direct" not in fitting_net["type"]