Update the path to training and validation data dir in zinc_se_a_mask…

….json (#3068) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
deepmodeling · Dec 21, 2023 · a47cd06 · a47cd06
1 parent a0f30f4
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Showing 2 changed files with 15 additions and 2 deletions.
diff --git 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
@@ -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"