diff --git a/deepmd/descriptor/se_a_mask.py b/deepmd/descriptor/se_a_mask.py index 780b34d294..cc2e6b4fc8 100644 --- a/deepmd/descriptor/se_a_mask.py +++ b/deepmd/descriptor/se_a_mask.py @@ -417,3 +417,16 @@ def prod_force_virial( atom_virial = tf.zeros([1, natoms[1], 9], dtype=force.dtype) return force, virial, atom_virial + + @classmethod + def update_sel(cls, global_jdata: dict, local_jdata: dict): + """Update the selection and perform neighbor statistics. + + Parameters + ---------- + global_jdata : dict + The global data, containing the training section + local_jdata : dict + The local data refer to the current class + """ + return local_jdata diff --git a/examples/zinc_protein/zinc_se_a_mask.json b/examples/zinc_protein/zinc_se_a_mask.json index b23987cf5d..04f63aa4ed 100644 --- a/examples/zinc_protein/zinc_se_a_mask.json +++ b/examples/zinc_protein/zinc_se_a_mask.json @@ -68,14 +68,14 @@ "training": { "training_data": { "systems": [ - "example/zinc_protein/train_data_dp_mask/" + "examples/zinc_protein/train_data_dp_mask/" ], "batch_size": 2, "_comment7": "that's all" }, "validation_data": { "systems": [ - "example/zinc_protein/val_data_dp_mask/" + "examples/zinc_protein/val_data_dp_mask/" ], "batch_size": 2, "_comment8": "that's all"