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ML FF LBASIS DISCARD

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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