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ML FF LMAX2 MB

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ML_FF_LMAX2_MB = [integer]
Default: ML_FF_LMAX2_MB = 6 

Description: This tag specifies the maximum angular momentum quantum number of spherical harmonics used to expand atomic distributions within the machine learning force field method.


Related Tags and Sections

ML_FF_LMLFF, ML_FF_MSPL1_MB, ML_FF_MSPL2_MB, ML_FF_NR1_MB, ML_FF_NR2_MB, ML_FF_MRB1_MB, ML_FF_MRB2_MB

Examples that use this tag