water_se_a.json

{
    "_comment": " model parameters",
    "model": {
	"type_map":	["O", "H"],
	"descriptor" :{
	    "type":		"se_a",
	    "sel":		[46, 92],
	    "rcut_smth":	5.80,
	    "rcut":		6.00,
	    "neuron":		[25, 50, 100],
	    "resnet_dt":	false,
	    "axis_neuron":	16,
	    "seed":		1,
	    "_comment":		" that's all"
	},
	"fitting_net" : {
	    "neuron":		[240, 240, 240],
	    "resnet_dt":	true,
	    "seed":		1,
	    "_comment":		" that's all"
	},
	"_comment":	" that's all"
    },

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

    "loss" :{
	"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,
	"_comment":	" that's all"
    },

    "_comment": " traing controls",
    "training" : {
	"systems":	["../data/"],
	"set_prefix":	"set",    
	"stop_batch":	1000000,
	"batch_size":	1,

	"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,
	"profiling":	false,
	"profiling_file":"timeline.json",
	"_comment":	"that's all"
    },

    "_comment":		"that's all"
}