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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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== Related Tags and Sections ==
 
== Related Tags and Sections ==

Revision as of 12:06, 13 May 2019

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.



Related Tags and Sections

ML_FF_LMLFF, ML_FF_MB_MB, ML_FF_MCONF

Examples that use this tag