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Difference between revisions of "ML FF LBASIS DISCARD"

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Description: This variable specifies whether the basis sets are thrown away when its number exceeds {{TAG|ML_FF_MB_MB}} in the machine learning force field method.
 
Description: This variable specifies whether the basis sets are thrown away when its number exceeds {{TAG|ML_FF_MB_MB}} in the machine learning force field method.
 
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In the default case when {{TAG|ML_FF_LBASIS_DISCARD}}=.FALSE., if the basis set size is exceeding {{TAG|ML_FF_MB_MB}} the learning is stopped.
  
 
== Related Tags and Sections ==
 
== Related Tags and Sections ==
{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_MB_MB}}, ML_FF_MCONF
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{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_MB_MB}}, {{TAG|ML_FF_MCONF}}
  
 
{{sc|ML_FF_LBASIS_DISCARD|Examples|Examples that use this tag}}
 
{{sc|ML_FF_LBASIS_DISCARD|Examples|Examples that use this tag}}
 
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[VASP6]]
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]

Latest revision as of 15:18, 29 February 2020

ML_FF_LBASIS_DISCARD = [logical]
Default: ML_FF_LBASIS_DISCARD = .FALSE. 

Description: This variable specifies whether the basis sets are thrown away when its number exceeds ML_FF_MB_MB in the machine learning force field method.


In the default case when ML_FF_LBASIS_DISCARD=.FALSE., if the basis set size is exceeding ML_FF_MB_MB the learning is stopped.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_MB_MB, ML_FF_MCONF

Examples that use this tag