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By the way, can we let the auto-sel calculation become a default behavior, and throw a RuntimeError when it's more than those set by users? Usually we will get a bad model if sel is not enough for training data. It wastes time to train such a model.
By the way, can we let the auto-sel calculation become a default behavior, and throw a RuntimeError when it's more than those set by users? Usually we will get a bad model if sel is not enough for training data. It wastes time to train such a model.
We should allow the users setting a small sel and warn them that they are using a too small sel and they really know what they are doing.
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The default value of
type_mapisNone, so when you don't settype_map, you'll get this error.deepmd-kit/deepmd/entrypoints/train.py
Line 225 in 043ac86