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ML FF MRB2 MB

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ML_FF_MRB2_MB = [integer]
Default: ML_FF_MRB2_MB = ML_FF_MRB1_MB 

Description: This tag sets the number of radial basis sets used to expand the atomic distribution for the angular descriptor within the machine learning force field method. The code automatically determine ML_FF_MRB2_MB in such a way the the error "Error in radial expansion:" in the ML_LOGFILE is below a threshold.


Related Tags and Sections

ML_FF_LMLFF, ML_FF_MRB1_MB, ML_FF_W1_MB, ML_FF_W1_MB, ML_FF_RCUT1_MB, ML_FF_RCUT2_MB, ML_FF_SION1_MB, ML_FF_SION2_MB

Examples that use this tag