ML NATOM COUPLED: Difference between revisions

From VASP Wiki
(Created page with "{{TAGDEF|ML_FF_NATOM_COUPLED_MB|[integer]|1}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_NATOM_COUPLED_MB|Examples|Examples that use this tag}} ---- Ca...")
 
No edit summary
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
{{TAGDEF|ML_FF_NATOM_COUPLED_MB|[integer]|1}}
{{TAGDEF|ML_FF_NATOM_COUPLED_MB|[integer]|1}}


Description:
Description: This tag specifies the number of atoms for which a coupling parameter is introduced to calculate the chemical potential within the machine learning force field method.
----
----


== Related Tags and Sections ==
== Related Tags and Sections ==
{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_LCOUPLE_MB}}, {{TAG|ML_FF_ICOUPLE_MB}}, {{TAG|ML_FF_RCOUPLE_MB}}


{{sc|ML_FF_NATOM_COUPLED_MB|Examples|Examples that use this tag}}
{{sc|ML_FF_NATOM_COUPLED_MB|Examples|Examples that use this tag}}
----
----


[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]]
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Revision as of 15:20, 29 February 2020

ML_FF_NATOM_COUPLED_MB = [integer]
Default: ML_FF_NATOM_COUPLED_MB = 1 

Description: This tag specifies the number of atoms for which a coupling parameter is introduced to calculate the chemical potential within the machine learning force field method.


Related Tags and Sections

ML_FF_LMLFF, ML_FF_LCOUPLE_MB, ML_FF_ICOUPLE_MB, ML_FF_RCOUPLE_MB

Examples that use this tag