fix: add update_deepmd_input to tf unit test

Author: OutisLi

source/tests/tf/data_modifier/dipole.json

@@ -53,26 +53,23 @@
     "_comment4": " that's all"
   },
 
-  "_comment5": " traing controls",
-  "training": {
-    "systems": [
-      "data_modifier/sys_10"
-    ],
-    "stop_batch": 1000000,
-    "batch_size": 4,
+  "optimizer": {
+    "type": "Adam"
+  },
 
+  "training": {
+    "training_data": {
+      "systems": [
+        "data_modifier/sys_10"
+      ],
+      "batch_size": 4
+    },
+    "numb_steps": 1000000,
     "seed": 1,
-
-    "_comment6": " display and restart",
-    "_comment7": " frequencies counted in batch",
     "disp_file": "lcurve.out",
     "disp_freq": 100,
-    "numb_test": 5,
     "save_freq": 500,
     "save_ckpt": "model.ckpt",
-    "load_ckpt": "model.ckpt",
-    "disp_training": true,
-    "time_training": true,
     "_comment8": "that's all"
   },
 

source/tests/tf/test_data_modifier.py

@@ -62,12 +62,12 @@ def _setUp(self) -> None:
         rcut = model.model.get_rcut()
 
         # init data system
-        systems = jdata["training"]["systems"]
+        systems = jdata["training"]["training_data"]["systems"]
         # systems[0] = tests_path / systems[0]
         systems = [tests_path / ii for ii in systems]
         set_pfx = "set"
-        batch_size = jdata["training"]["batch_size"]
-        test_size = jdata["training"]["numb_test"]
+        batch_size = jdata["training"]["training_data"]["batch_size"]
+        test_size = 1
         data = DeepmdDataSystem(
             systems, batch_size, test_size, rcut, set_prefix=set_pfx
         )

source/tests/tf/test_data_modifier_shuffle.py

@@ -69,10 +69,10 @@ def _setUp(self) -> None:
         rcut = model.model.get_rcut()
 
         # init data system
-        systems = jdata["training"]["systems"]
+        systems = jdata["training"]["training_data"]["systems"]
         set_pfx = "set"
-        batch_size = jdata["training"]["batch_size"]
-        test_size = jdata["training"]["numb_test"]
+        batch_size = jdata["training"]["training_data"]["batch_size"]
+        test_size = 1
         data = DeepmdDataSystem(
             systems, batch_size, test_size, rcut, set_prefix=set_pfx
         )
@@ -177,11 +177,13 @@ def _setUp_jdata(self):
                 "decay_steps": 5000,
                 "decay_rate": 0.95,
             },
+            "optimizer": {"type": "Adam"},
             "training": {
-                "systems": ["data_modifier/sys_test_0"],
-                "stop_batch": 1000000,
-                "batch_size": 1,
-                "numb_test": 2,
+                "training_data": {
+                    "systems": ["data_modifier/sys_test_0"],
+                    "batch_size": 1,
+                },
+                "numb_steps": 1000000,
             },
         }
         return jdata