ML_NHYP
(Redirected from ML FF NHYP1 MB)
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Upcoming workshop on chemical reactions! Go to event.
ML_NHYP = [integer]
Default: ML_NHYP = 4
Description: This tag specifies the polynomial power of the kernel within the machine learning force field method (see this section).
The value of ML_NHYP must be an integer number 1.
ML_RCUT1, ML_SION1, ML_RCUT2, ML_SION2