ML RCUT1

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ML_FF_RCUT1_MB = [real]
Default: ML_FF_RCUT1_MB = ML_FF_RCUT2_MB

Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method.

The unit of the cut-off radius is given in $\mathrm {\AA}$ .

Related Tags and Sections

ML_FF_LMLFF, ML_FF_RCUT2_MB, ML_FF_W1_MB, ML_FF_W2_MB

Examples that use this tag