ML NHYP: Difference between revisions

Latest revision as of 13:29, 8 April 2022

ML_NHYP = [integer]
Default: ML_NHYP = 4

Description: This tag specifies the polynomial power $\zeta$ of the kernel within the machine learning force field method (see this section).

The value of ML_NHYP must be an integer number $\geq$ 1.

@@ Line 1: / Line 1: @@
-{{TAGDEF|ML_FF_NHYP1_MB|[integer]|4}}
+{{DISPLAYTITLE:ML_NHYP}}
+{{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 <math>\ge</math> 1.
-<math>
+== Related tags and articles ==
-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}.
+{{TAG|ML_RCUT1}}, {{TAG|ML_SION1}}, {{TAG|ML_RCUT2}}, {{TAG|ML_SION2}}
-</math>
-== Related Tags and Sections ==
+{{sc|ML_NHYP|Examples|Examples that use this tag}}
-{{TAG|ML_FF_RCUT1_MB}}, {{TAG|ML_FF_SION1_MB}}
-{{sc|ML_FF_NHYP1_MB|Examples|Examples that use this tag}}
 ----
-[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]
+[[Category:INCAR tag]][[Category:Machine-learned force fields]]