good default value for start_pref_v, limit_pref_v #1265
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njzjz
saeedshahi
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Hi All, I want to train a dataset by fitting Energies, Forces, and Virials but I don't have any idea about good value for start_pref_v and limit_pref_v. There is a default value for energy and force but not for virial, so Could you give me a good default value or idea of how can I choose ones? Best, |
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Answered by
njzjz
Nov 5, 2021
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As the unit of virial is as the same as that of energy, you can use the same value for virial as energy. |
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As the unit of virial is as the same as that of energy, you can use the same value for virial as energy.