ML MRB1

ML_MRB1 = [integer]
Default: ML_MRB1 = 8 

Description: This tag sets the number $N_\text{R}^0$ of radial basis functions used to expand the atomic distribution for the radial descriptor within the machine learning force field method as described in this section.

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The value of ML_MRB1 is the default value for ML_MRB2.

Related Tags and Sections

ML_LMLFF, ML_MRB2, ML_W1, ML_RCUT1, ML_SION1

Examples that use this tag

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