ML RCUT1: Difference between revisions

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(Created page with "{{TAGDEF|ML_FF_RCUT1_MB|[logical]|{{TAG|}ML_FF_RCUT2_MB}}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_RCUT1_MB|Examples|Examples that use this tag}} ----...")
 
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{{TAGDEF|ML_FF_RCUT1_MB|[logical]|{{TAG|}ML_FF_RCUT2_MB}}}
{{TAGDEF|ML_FF_RCUT1_MB|[real]|5.0}}


Description:
Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method.
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The unit of the cut-off radius is given in <math>\AA</math>.
The value of {{TAG|ML_FF_RCUT1_MB}} is the default value for {{TAG|ML_FF_RCUT2_MB}}.


== Related Tags and Sections ==
== Related Tags and Sections ==
{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_RCUT2_MB}}, {{TAG|ML_FF_W1_MB}}, {{TAG|ML_FF_SION1_MB}}, {{TAG|ML_FF_SION2_MB}}


{{sc|ML_FF_RCUT1_MB|Examples|Examples that use this tag}}
{{sc|ML_FF_RCUT1_MB|Examples|Examples that use this tag}}
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[[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 10:09, 16 November 2020

ML_FF_RCUT1_MB = [real]
Default: ML_FF_RCUT1_MB = 5.0 

Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method.


The unit of the cut-off radius is given in . The value of ML_FF_RCUT1_MB is the default value for ML_FF_RCUT2_MB.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_RCUT2_MB, ML_FF_W1_MB, ML_FF_SION1_MB, ML_FF_SION2_MB

Examples that use this tag