How to set training_data/systems and validation_data/systems if I set set_size=some exact number when I prepare the data? #2512
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Lihuigao21
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split the training and validation sets in different folders and refer them by |
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For example, I run MD for 5000 steps and I want to 1000 steps of them to be validation_data, so I set set_size=1000. Then I get set.000 to set.004. Then how can I set training_data/systems and validation_data/systems in input.json? If I delete all the "validation_data" part , I find that the lcurve.out will miss some rows. Thanks for helping me.
I know that if I set set_size=1000 then it is default to regard set.004 as validation_data. But how to let deepmd use this "default" without do harm to lcurve.out?
My input.json:
`{
"_comment": " model parameters",
"model": {
"type_map": ["Ti", "O", "H.66", "H1.33", "H"],
"descriptor" :{
"type": "se_e2_a",
"sel": [40,70,10,15,15],
"rcut_smth": 0.50,
"rcut": 6.00,
"neuron": [25, 50, 100],
"resnet_dt": false,
"axis_neuron": 16,
"seed": 983,
"_comment": " that's all"
},
"fitting_net" : {
"neuron": [240, 240, 240],
"resnet_dt": true,
"seed": 1,
"_comment": " that's all"
},
"_comment": " that's all"
},
}
`
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