ML SIGV0

ML_FF_SIGV0_MB = [real]
Default: ML_FF_SIGV0_MB = 1.0 

Description: This flag sets the initial reversed and squared noise parameter $\frac{1}{\sigma_{\mathrm{v}}^{2}}$ in the machine learning force field method.

---

For the optimization of the optimization of the reverse and squared noise parameter $\frac{1}{\sigma_{\mathrm{v}}^{2}}$ see following section: Machine learning force field: Theory.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_IREG_MB, ML_FF_SIGW0_MB

Examples that use this tag

---