chore: add example

examples/calypso/dpa2_train.json

@@ -0,0 +1,96 @@
+{
+  "_comment": "that's all",
+  "model": {
+    "type_map": [
+      "Mg",
+      "Al"
+    ],
+    "descriptor": {
+      "type": "dpa2",
+      "tebd_dim": 8,
+      "repinit_rcut": 9.0,
+      "repinit_rcut_smth": 8.0,
+      "repinit_nsel": 120,
+      "repformer_rcut": 4.0,
+      "repformer_rcut_smth": 3.5,
+      "repformer_nsel": 40,
+      "repinit_neuron": [
+        25,
+        50,
+        100
+      ],
+      "repinit_axis_neuron": 12,
+      "repinit_activation": "tanh",
+      "repformer_nlayers": 12,
+      "repformer_g1_dim": 128,
+      "repformer_g2_dim": 32,
+      "repformer_attn2_hidden": 32,
+      "repformer_attn2_nhead": 4,
+      "repformer_attn1_hidden": 128,
+      "repformer_attn1_nhead": 4,
+      "repformer_axis_dim": 4,
+      "repformer_update_h2": false,
+      "repformer_update_g1_has_conv": true,
+      "repformer_update_g1_has_grrg": true,
+      "repformer_update_g1_has_drrd": true,
+      "repformer_update_g1_has_attn": true,
+      "repformer_update_g2_has_g1g1": true,
+      "repformer_update_g2_has_attn": true,
+      "repformer_attn2_has_gate": true,
+      "repformer_add_type_ebd_to_seq": false
+    },
+    "fitting_net": {
+      "neuron": [
+        240,
+        240,
+        240
+      ],
+      "resnet_dt": true,
+      "seed": 1,
+      "_comment": " that's all"
+    },
+    "_comment": " that's all"
+  },
+  "learning_rate": {
+    "type": "exp",
+    "decay_steps": 5000,
+    "start_lr": 0.0002,
+    "stop_lr": 3.51e-08,
+    "_comment": "that's all"
+  },
+  "loss": {
+    "type": "ener",
+    "start_pref_e": 0.02,
+    "limit_pref_e": 1,
+    "start_pref_f": 1000,
+    "limit_pref_f": 1,
+    "start_pref_v": 0,
+    "limit_pref_v": 0,
+    "_comment": " that's all"
+  },
+  "training": {
+    "stat_file": "./dpa2",
+    "training_data": {
+      "systems": [
+	      "/personal/workplace/DP/dpgen2/Mg12Al8/deepmd"
+      ],
+      "batch_size": 1,
+      "_comment": "that's all"
+    },
+    "_validation_data": {
+      "systems": [
+	      "/personal/workplace/DP/dpgen2/Mg12Al8/deepmd"
+      ],
+      "batch_size": 1,
+      "_comment": "that's all"
+    },
+    "numb_steps": 20,
+    "warmup_steps": 0,
+    "gradient_max_norm": 5.0,
+    "seed": 10,
+    "disp_file": "lcurve.out",
+    "disp_freq": 100,
+    "save_freq": 200,
+    "_comment": "that's all"
+  }
+}