water.json

{
    "with_distrib":	false,
    "_comment": " model parameters",
    "use_smooth":	false,
    "sel_a":		[16, 32],
    "sel_r":		[30, 60],
    "rcut":		6.00,
    "axis_rule":	[0, 1, 0, 0, 1, 1, 0, 0, 0, 0, 1, 0],
    "_comment":	" default rule: []",
    "_comment":	" user defined rule: for each type provides two axes, ",
    "_comment":	"                    for each axis: (a_or_r, type, idx)",
    "_comment":	"                    if type < 0, exclude type -(type+1)",
    "_comment": "                    for water (O:0, H:1) it can be",
    "_comment": "                    [0, 1, 0, 0, 1, 1, 0, 0, 0, 0, 1, 0]",
    "fitting_neuron":	[240, 120, 60, 30, 10],

    "_comment": " traing controls",
    "systems":		["../data/water/"],
    "set_prefix":	"set",    
    "stop_batch":	1000000,
    "batch_size":	4,
    "start_lr":		0.001,
    "decay_steps":	5000,
    "decay_rate":	0.95,

    "start_pref_e":	0.02,
    "limit_pref_e":	8,
    "start_pref_f":	1000,
    "limit_pref_f":	1,
    "start_pref_v":	0,
    "limit_pref_v":	0,

    "seed":		1,

    "_comment": " display and restart",
    "_comment": " frequencies counted in batch",
    "disp_file":	"lcurve.out",
    "disp_freq":	100,
    "numb_test":	10,
    "save_freq":	1000,
    "save_ckpt":	"model.ckpt",
    "load_ckpt":	"model.ckpt",
    "disp_training":	true,
    "time_training":	true,

    "_comment":		"that's all"
}