ML RCUT2

ML_RCUT2 = [real]
Default: ML_RCUT2 = ML_RCUT1 

Description: This flag sets the cutoff radius $R_\text{cut}$ for the angular descriptor $\rho^{(3)}_i(r)$ in the machine learning force field method as described in this section.

---

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

Related Tags and Sections

ML_LMLFF, ML_RCUT1, ML_W1, ML_SION1, ML_SION2

Examples that use this tag

---