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Add smooth test
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iProzd committed Oct 7, 2023
1 parent d0edb3a commit f3c40f6
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6 changes: 6 additions & 0 deletions source/tests/model_smooth/data/type.raw
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2 changes: 2 additions & 0 deletions source/tests/model_smooth/data/type_map.raw
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O
H
85 changes: 85 additions & 0 deletions source/tests/model_smooth/input.json
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{
"_comment1": " model parameters",
"model": {
"type_map": [
"O",
"H",
"B"
],
"descriptor": {
"type": "se_e2_a",
"sel": [
46,
92,
4
],
"rcut_smth": 0.50,
"rcut": 6.00,
"neuron": [
4,
8,
16
],
"resnet_dt": false,
"axis_neuron": 16,
"seed": 1,
"_comment2": " that's all"
},
"fitting_net": {
"neuron": [
20,
20,
20
],
"resnet_dt": true,
"seed": 1,
"_comment3": " that's all"
},
"_comment4": " that's all"
},

"learning_rate": {
"type": "exp",
"decay_steps": 5000,
"start_lr": 0.001,
"stop_lr": 3.51e-8,
"_comment5": "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": 1,
"limit_pref_v": 1,
"_comment6": " that's all"
},

"training": {
"training_data": {
"systems": [
"model_smooth/data"
],
"batch_size": "auto",
"_comment7": "that's all"
},
"validation_data": {
"systems": [
"model_smooth/data"
],
"batch_size": 1,
"numb_btch": 3,
"_comment8": "that's all"
},
"numb_steps": 1,
"seed": 10,
"disp_file": "lcurve.out",
"disp_freq": 1,
"save_freq": 1,
"_comment9": "that's all"
},

"_comment10": "that's all"
}
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