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Commit 6bbeaac

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Han Wang
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seperate input for test fitting stat
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+58
-2
lines changed

3 files changed

+58
-2
lines changed

source/tests/test_fitting_stat.py

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from deepmd.DescrptSeA import DescrptSeA
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from deepmd.Fitting import EnerFitting
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input_json = 'water_se_a_aparam.json'
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input_json = 'water_se_a_afparam.json'
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def _make_fake_data(sys_natoms, sys_nframes, avgs, stds):
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all_stat = defaultdict(list)
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{
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"_comment": " model parameters",
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"model" : {
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"descriptor" :{
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"type": "se_a",
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"sel": [46, 92],
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"rcut_smth": 5.80,
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"rcut": 6.00,
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"neuron": [25, 50, 100],
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"resnet_dt": false,
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"axis_neuron": 16,
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"seed": 1
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},
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"fitting_net" : {
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"neuron": [240, 240, 240],
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"resnet_dt": true,
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"numb_fparam": 2,
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"numb_aparam": 2,
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"seed": 1
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}
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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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"start_lr": 0.005,
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"decay_steps": 5000,
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"decay_rate": 0.95,
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"start_pref_e": 0.02,
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"limit_pref_e": 1,
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"start_pref_f": 1000,
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"limit_pref_f": 1,
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"start_pref_v": 0,
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"limit_pref_v": 0,
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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": 1,
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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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"profiling": false,
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"profiling_file": "timeline.json",
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"_comment": "that's all"
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}
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source/tests/water_se_a_aparam.json

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"fitting_net" : {
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"neuron": [240, 240, 240],
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"resnet_dt": true,
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"numb_fparam": 2,
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"numb_aparam": 2,
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"seed": 1
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}

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