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Merged
wanghan-iapcm merged 1 commit into from
Feb 29, 2024
Merged

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

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1 change: 1 addition & 0 deletions doc/model/train-se-e2-r.md
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Expand Up @@ -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"
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5 changes: 3 additions & 2 deletions doc/train/multi-task-training.md
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Expand Up @@ -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
}
},
}
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1 change: 1 addition & 0 deletions examples/dos/train/input.json
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Expand Up @@ -17,6 +17,7 @@
],
"resnet_dt": false,
"axis_neuron": 8,
"type_one_side": true,
"precision": "float64",
"seed": 1
},
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1 change: 1 addition & 0 deletions examples/fparam/train/input.json
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Expand Up @@ -16,6 +16,7 @@
],
"resnet_dt": false,
"axis_neuron": 8,
"type_one_side": true,
"precision": "float64",
"seed": 1
},
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1 change: 1 addition & 0 deletions examples/fparam/train/input_aparam.json
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Expand Up @@ -16,6 +16,7 @@
],
"resnet_dt": false,
"axis_neuron": 8,
"type_one_side": true,
"precision": "float64",
"seed": 1
},
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1 change: 1 addition & 0 deletions examples/nopbc/train/input.json
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Expand Up @@ -22,6 +22,7 @@
],
"resnet_dt": false,
"axis_neuron": 12,
"type_one_side": true,
"seed": 1,
"_comment2": " that's all"
},
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1 change: 1 addition & 0 deletions examples/spin/se_e2_a/input.json
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Expand Up @@ -20,6 +20,7 @@
],
"resnet_dt": false,
"axis_neuron": 16,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment2": " that's all"
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1 change: 1 addition & 0 deletions examples/water/d3/input.json
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Expand Up @@ -24,6 +24,7 @@
],
"resnet_dt": false,
"axis_neuron": 16,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment2": " that's all"
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1 change: 1 addition & 0 deletions examples/water/dplr/train/dw.json
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Expand Up @@ -20,6 +20,7 @@
],
"resnet_dt": false,
"axis_neuron": 8,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment2": " that's all"
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1 change: 1 addition & 0 deletions examples/water/dplr/train/ener.json
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Expand Up @@ -20,6 +20,7 @@
],
"resnet_dt": false,
"axis_neuron": 8,
"type_one_side": true,
"precision": "float64",
"seed": 3458359619,
"_comment2": " that's all"
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2 changes: 2 additions & 0 deletions examples/water/hybrid/input.json
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Expand Up @@ -23,6 +23,7 @@
],
"resnet_dt": false,
"axis_neuron": 4,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment2": " that's all"
Expand All @@ -41,6 +42,7 @@
20
],
"resnet_dt": false,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment3": " that's all"
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1 change: 1 addition & 0 deletions examples/water/se_e2_a/input.json
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Expand Up @@ -20,6 +20,7 @@
],
"resnet_dt": false,
"axis_neuron": 16,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment2": " that's all"
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1 change: 1 addition & 0 deletions examples/water/se_e2_a/input_torch.json
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Expand Up @@ -19,6 +19,7 @@
],
"resnet_dt": false,
"axis_neuron": 16,
"type_one_side": true,
"seed": 1,
"_comment": " that's all"
},
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1 change: 1 addition & 0 deletions examples/water/se_e2_a_mixed_prec/input.json
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Expand Up @@ -20,6 +20,7 @@
],
"resnet_dt": false,
"axis_neuron": 16,
"type_one_side": true,
"seed": 1,
"_comment2": " that's all"
},
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1 change: 1 addition & 0 deletions examples/water/se_e2_r/input.json
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Expand Up @@ -19,6 +19,7 @@
20
],
"resnet_dt": false,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment2": " that's all"
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1 change: 1 addition & 0 deletions examples/water/zbl/input.json
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Expand Up @@ -24,6 +24,7 @@
],
"resnet_dt": false,
"axis_neuron": 16,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment2": " that's all"
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1 change: 1 addition & 0 deletions examples/water_multi_task/ener_dipole/input.json
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Expand Up @@ -20,6 +20,7 @@
],
"resnet_dt": false,
"axis_neuron": 16,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment2": " that's all"
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1 change: 1 addition & 0 deletions examples/water_tensor/dipole/dipole_input.json
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Expand Up @@ -20,6 +20,7 @@
],
"resnet_dt": false,
"axis_neuron": 6,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment2": " that's all"
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1 change: 1 addition & 0 deletions examples/water_tensor/polar/polar_input.json
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Expand Up @@ -21,6 +21,7 @@
],
"resnet_dt": false,
"axis_neuron": 16,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment2": " that's all"
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1 change: 1 addition & 0 deletions examples/zinc_protein/zinc_se_a_mask.json
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Expand Up @@ -27,6 +27,7 @@
],
"resnet_dt": true,
"axis_neuron": 16,
"type_one_side": true,
"precision": "float64",
"seed": 1,
"_comment2": " that's all"
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