train-se-e2-r.md

Descriptor "se_e2_r"

The notation of se_e2_r is short for the Deep Potential Smooth Edition (DeepPot-SE) constructed from the radial information of atomic configurations. The e2 stands for the embedding with two-atom information.

A complete training input script of this example can be found in the directory

$deepmd_source_dir/examples/water/se_e2_r/input.json

The training input script is very similar to that of se_e2_a. The only difference lies in the descriptor section

	"descriptor": {
	    "type":		"se_e2_r",
	    "sel":		[46, 92],
	    "rcut_smth":	0.50,
	    "rcut":		6.00,
	    "neuron":		[5, 10, 20],
	    "resnet_dt":	false,
	    "seed":		1,
	    "_comment": " that's all"
	},

The type of the descriptor is set by the key "type".