ML RCUT1
ML_RCUT1 = [real]
Default: ML_RCUT1 = 5.0
Description: This flag sets the cutoff radius [math]\displaystyle{ R_\text{cut} }[/math] for the radial descriptor [math]\displaystyle{ \rho^{(2)}_i(r) }[/math] in the machine learning force field method as described in this section.
The unit of the cut-off radius is given in [math]\displaystyle{ \AA }[/math]. The value of ML_RCUT1 is the default value for ML_RCUT2.
Related Tags and Sections
ML_LMLFF, ML_RCUT2, ML_W1, ML_SION1, ML_SION2