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Commit 080a708

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Han Wang
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add missing input
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source/tests/wfc.json

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{
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"with_distrib": false,
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"_comment": " model parameters",
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"model":{
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"type": "polar",
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"type_map": ["O", "H"],
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"descriptor" :{
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"type": "loc_frame",
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"sel_a": [16, 32],
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"sel_r": [30, 60],
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"rcut": 6.00,
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"axis_rule": [0, 1, 0, 0, 1, 1, 0, 0, 0, 0, 1, 0],
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"_comment": " default rule: []",
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"_comment": " user defined rule: for each type provides two axes, ",
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"_comment": " for each axis: (a_or_r, type, idx)",
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"_comment": " if type < 0, exclude type -(type+1)",
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"_comment": " for water (O:0, H:1) it can be",
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"_comment": " [0, 1, 0, 0, 1, 1, 0, 0, 0, 0, 1, 0]",
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"_comment": " that's all"
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},
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"fitting_net": {
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"type": "wfc",
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"wfc_numb": 4,
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"sel_type": [0],
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"neuron": [100, 100, 100],
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"resnet_dt": true,
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"seed": 1,
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"_comment": " that's all"
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},
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"_comment": " that's all"
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},
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"learning_rate" :{
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"type": "exp",
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"start_lr": 0.001,
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"decay_steps": 5000,
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"decay_rate": 0.95,
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"_comment": "that's all"
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},
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"_comment": " traing controls",
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"systems": ["system"],
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"set_prefix": "set",
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"stop_batch": 1000000,
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"batch_size": [1],
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"seed": 1,
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"_comment": " display and restart",
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"_comment": " frequencies counted in batch",
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"disp_file": "lcurve.out",
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"disp_freq": 100,
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"numb_test": 10,
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"save_freq": 1000,
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"save_ckpt": "model.ckpt",
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"load_ckpt": "model.ckpt",
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"disp_training":true,
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"time_training":true,
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"_comment": "that's all"
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}
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