ML RCUT2
ML_RCUT2 = [real]
Default: ML_RCUT2 = ML_RCUT1
Description: This flag sets the cutoff radius [math]\displaystyle{ R_\text{cut} }[/math] for the angular descriptor [math]\displaystyle{ \rho^{(3)}_i(r) }[/math] in the machine learning force field method as described in this section.
The unit of the cut-off radius is [math]\displaystyle{ \AA }[/math].
Related Tags and Sections
ML_LMLFF, ML_RCUT1, ML_W1, ML_SION1, ML_SION2