ML NHYP: Difference between revisions

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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]]).
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]]).
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The value of {{TAG|ML_NHYP}} must be an integer number <math>\le</math> 1.
The value of {{TAG|ML_NHYP}} must be an integer number <math>\ge</math> 1.


== Related Tags and Sections ==
== Related Tags and Sections ==

Revision as of 14:04, 22 October 2021

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.

Related Tags and Sections

ML_RCUT1, ML_SION1, ML_RCUT2, ML_SION2

Examples that use this tag