ML NHYP: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
 
(13 intermediate revisions by 2 users not shown)
Line 1: Line 1:
{{TAGDEF|ML_FF_NHYP1_MB|[inter]|1}}
{{DISPLAYTITLE:ML_NHYP}}
{{TAGDEF|ML_NHYP|[integer]|4}}


Description: Polynomial power of the radial 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]]).
----
----
The value of {{TAG|ML_NHYP}} must be an integer number <math>\ge</math> 1.


== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|ML_RCUT1}}, {{TAG|ML_SION1}}, {{TAG|ML_RCUT2}}, {{TAG|ML_SION2}}


{{sc|ML_FF_NHYP1_MB|Examples|Examples that use this tag}}
{{sc|ML_NHYP|Examples|Examples that use this tag}}
----
----


[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
[[Category:INCAR tag]][[Category:Machine-learned force fields]]

Latest revision as of 13:29, 8 April 2022

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 articles

ML_RCUT1, ML_SION1, ML_RCUT2, ML_SION2

Examples that use this tag