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>\ | 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 [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 [math]\displaystyle{ \ge }[/math] 1.
Related Tags and Sections
ML_RCUT1, ML_SION1, ML_RCUT2, ML_SION2