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ML FF NR2 MB

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ML_FF_NR2_MB = [integer]
Default: ML_FF_NR2_MB = 1000 

Description: This tag determines the number of grid points used to execute radial integrations to compute the angular descriptor within the machine learning force field method.


Related Tags and Sections

ML_FF_LMLFF, ML_FF_NR1_MB, ML_FF_W1_MB, ML_FF_W2_MB, ML_FF_MSPL1_MB, ML_FF_MSPL1_MB

Examples that use this tag