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https://docs.deepmodeling.com/projects/deepmd/en/master/model/sel.html |
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I am trying to use the DPLR model in the ionic solution, which contains H, B, C, F and N. In the beginning, DW model is trained first with parameter
type
:dipole
. Since there are many element in the system, I would like to know how to specify the list of parametersel_type
, and how to specify which is which, e.g. bond type 1 between atom F and N, bond type 2 between H and N, etc.Beta Was this translation helpful? Give feedback.
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