Normalization of energy and force labels #3853
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Dear DeePMD community, I am new to DeePMD, so I have a very basic question. I would really appreciate it if you would give me some comments. Best, |
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deepmd-kit assumes that the unit of the energy and length are eV and A, respectively. They usually give a good enought scale for training. |
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deepmd-kit assumes that the unit of the energy and length are eV and A, respectively. They usually give a good enought scale for training.
Note that deepmd-kit removes the bias in the energy labels, but does not scale them.