ML NHYP: Difference between revisions

Revision as of 20:18, 11 October 2021

ML_NHYP = [integer]
Default: ML_NHYP = 4

Description: This tag specifies the polynomial power [math]\displaystyle{ \zeta }[/math] of the kernel within the machine learning force field method (see this section).

The value of ML_NHYP must be an integer number > 1.

Related Tags and Sections

ML_RCUT1, ML_SION1, ML_RCUT2, ML_SION2

Examples that use this tag

@@ Line 1: / Line 1: @@
 {{TAGDEF|ML_NHYP|[integer]|4}}
-Description: Polynomial power of the kernel.
+Description: This tag specifies the polynomial power <math> \zeta</math> of the kernel within the machine learning force field method (see [[Machine learning force field: Theory#Potential energy fitting|this section]]).
 ----
-This tag specifies the power <math> \zeta</math> of the polynomial kernel
+The value of {{TAG|ML_NHYP}} must be an integer number > 1.
-<math>
-K \left(\mathbf{X}_{i},\mathbf{X}_{i_\mathrm{B}}\right) = \left[ \beta \mathbf{X}_{i}^{(2)} \cdot \mathbf{X}_{i_{\mathrm{B}}}^{(2)} + (1-\beta)    \mathbf{\hat{X}}_{i}^{(3)} \cdot \mathbf{\hat{X}}_{i_{\mathrm{B}}}^{(3)} \right]^{\zeta}.
-</math>
 == Related Tags and Sections ==