docs: apply type_one_side=True to se_a and se_r (deepmodeling#3364)

njzjz · web-flow · commit 84d0576b1a73 · 2024-02-29T04:50:13.000Z
Fix deepmodeling#2265. Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
diff --git a/doc/model/train-se-e2-r.md b/doc/model/train-se-e2-r.md
@@ -59,6 +59,7 @@ The training input script is very similar to that of [`se_e2_a`](train-se-e2-a.m
 	    "rcut_smth":	0.50,
 	    "rcut":		6.00,
 	    "neuron":		[5, 10, 20],
+        "type_one_side": true,
 	    "resnet_dt":	false,
 	    "seed":		1,
 	    "_comment": " that's all"
diff --git a/doc/train/multi-task-training.md b/doc/train/multi-task-training.md
@@ -75,15 +75,16 @@ You can first train a multi-task model using input script with the following {re
             "rcut_smth":    0.5,
             "rcut":     6.0,
             "neuron":       [25, 50, 100],
+            "type_one_side": true
         },
         "fitting_net_dict": {
             "water_dipole": {
                 "type":         "dipole",
-                "neuron":       [100, 100, 100],
+                "neuron":       [100, 100, 100]
             },
             "water_ener": {
                 "neuron":       [240, 240, 240],
-                "resnet_dt":    true,
+                "resnet_dt":    true
             }
         },
     }
diff --git a/examples/dos/train/input.json b/examples/dos/train/input.json
@@ -17,6 +17,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 8,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1
     },
diff --git a/examples/fparam/train/input.json b/examples/fparam/train/input.json
@@ -16,6 +16,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 8,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1
     },
diff --git a/examples/fparam/train/input_aparam.json b/examples/fparam/train/input_aparam.json
@@ -16,6 +16,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 8,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1
     },
diff --git a/examples/nopbc/train/input.json b/examples/nopbc/train/input.json
@@ -22,6 +22,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 12,
+      "type_one_side": true,
       "seed": 1,
       "_comment2": " that's all"
     },
diff --git a/examples/spin/se_e2_a/input.json b/examples/spin/se_e2_a/input.json
@@ -20,6 +20,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 16,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1,
       "_comment2": " that's all"
diff --git a/examples/water/d3/input.json b/examples/water/d3/input.json
@@ -24,6 +24,7 @@
           ],
           "resnet_dt": false,
           "axis_neuron": 16,
+          "type_one_side": true,
           "precision": "float64",
           "seed": 1,
           "_comment2": " that's all"
diff --git a/examples/water/dplr/train/dw.json b/examples/water/dplr/train/dw.json
@@ -20,6 +20,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 8,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1,
       "_comment2": " that's all"
diff --git a/examples/water/dplr/train/ener.json b/examples/water/dplr/train/ener.json
@@ -20,6 +20,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 8,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 3458359619,
       "_comment2": " that's all"
diff --git a/examples/water/hybrid/input.json b/examples/water/hybrid/input.json
@@ -23,6 +23,7 @@
           ],
           "resnet_dt": false,
           "axis_neuron": 4,
+          "type_one_side": true,
           "precision": "float64",
           "seed": 1,
           "_comment2": " that's all"
@@ -41,6 +42,7 @@
             20
           ],
           "resnet_dt": false,
+          "type_one_side": true,
           "precision": "float64",
           "seed": 1,
           "_comment3": " that's all"
diff --git a/examples/water/se_e2_a/input.json b/examples/water/se_e2_a/input.json
@@ -20,6 +20,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 16,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1,
       "_comment2": " that's all"
diff --git a/examples/water/se_e2_a/input_torch.json b/examples/water/se_e2_a/input_torch.json
@@ -19,6 +19,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 16,
+      "type_one_side": true,
       "seed": 1,
       "_comment": " that's all"
     },
diff --git a/examples/water/se_e2_a_mixed_prec/input.json b/examples/water/se_e2_a_mixed_prec/input.json
@@ -20,6 +20,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 16,
+      "type_one_side": true,
       "seed": 1,
       "_comment2": " that's all"
     },
diff --git a/examples/water/se_e2_r/input.json b/examples/water/se_e2_r/input.json
@@ -19,6 +19,7 @@
         20
       ],
       "resnet_dt": false,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1,
       "_comment2": " that's all"
diff --git a/examples/water/zbl/input.json b/examples/water/zbl/input.json
@@ -24,6 +24,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 16,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1,
       "_comment2": " that's all"
diff --git a/examples/water_multi_task/ener_dipole/input.json b/examples/water_multi_task/ener_dipole/input.json
@@ -20,6 +20,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 16,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1,
       "_comment2": " that's all"
diff --git a/examples/water_tensor/dipole/dipole_input.json b/examples/water_tensor/dipole/dipole_input.json
@@ -20,6 +20,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 6,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1,
       "_comment2": " that's all"
diff --git a/examples/water_tensor/polar/polar_input.json b/examples/water_tensor/polar/polar_input.json
@@ -21,6 +21,7 @@
       ],
       "resnet_dt": false,
       "axis_neuron": 16,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1,
       "_comment2": " that's all"
diff --git a/examples/zinc_protein/zinc_se_a_mask.json b/examples/zinc_protein/zinc_se_a_mask.json
@@ -27,6 +27,7 @@
       ],
       "resnet_dt": true,
       "axis_neuron": 16,
+      "type_one_side": true,
       "precision": "float64",
       "seed": 1,
       "_comment2": " that's all"

Original file line number	Diff line number	Diff line change
`@@ -19,6 +19,7 @@`
`19`	`19`	`20`
`20`	`20`	`],`
`21`	`21`	`"resnet_dt": false,`
	`22`	`+ "type_one_side": true,`
`22`	`23`	`"precision": "float64",`
`23`	`24`	`"seed": 1,`
`24`	`25`	`"_comment2": " that's all"`