input.json

{
    "model": {
        "type_map": [
            "Cu"
        ],
        "descriptor": {
            "type": "loc_frame",
            "sel_a": [
                50
            ],
            "sel_r": [
                100
            ],
            "rcut": 6.0,
            "axis_rule": [
                0,
                0,
                0,
                0,
                0,
                1,
                0,
                0,
                0,
                0,
                0,
                2
            ]
        },
        "fitting_net": {
            "neuron": [
                240,
                240,
                240
            ],
            "resnet_dt": true,
            "seed": 1,
            "type": "ener",
            "numb_fparam": 0,
            "numb_aparam": 0,
            "activation_function": "tanh",
            "precision": "default",
            "trainable": true,
            "rcond": 0.001,
            "atom_ener": [],
            "use_aparam_as_mask": false
        },
        "data_stat_nbatch": 10,
        "data_stat_protect": 0.01,
        "data_bias_nsample": 10
    },
    "learning_rate": {
        "type": "exp",
        "decay_steps": 5000,
        "start_lr": 0.001,
        "stop_lr": 3.51e-08,
        "scale_by_worker": "linear"
    },
    "loss": {
        "type": "ener",
        "start_pref_e": 0.02,
        "limit_pref_e": 1,
        "start_pref_f": 1000,
        "limit_pref_f": 1,
        "start_pref_v": 0,
        "limit_pref_v": 0,
        "start_pref_ae": 0.0,
        "limit_pref_ae": 0.0,
        "start_pref_pf": 0.0,
        "limit_pref_pf": 0.0,
        "enable_atom_ener_coeff": false
    },
    "training": {
        "training_data": {
            "systems": "../cu_train.hdf5",
            "batch_size": "auto",
            "set_prefix": "set",
            "auto_prob": "prob_sys_size",
            "sys_probs": null
        },
        "validation_data": {
            "systems": "../cu_test.hdf5",
            "batch_size": 1,
            "numb_btch": 3,
            "set_prefix": "set",
            "auto_prob": "prob_sys_size",
            "sys_probs": null
        },
        "numb_steps": 1000000,
        "seed": 10,
        "disp_file": "lcurve.out",
        "disp_freq": 100,
        "save_freq": 1000,
        "save_ckpt": "model.ckpt",
        "disp_training": true,
        "time_training": true,
        "profiling": false,
        "profiling_file": "timeline.json",
        "enable_profiler": false,
        "tensorboard": false,
        "tensorboard_log_dir": "log",
        "tensorboard_freq": 1
    }
}