ML SIGW0

ML_SIGW0 = [real]
Default: ML_SIGW0 = 1.0 

Description: This flag sets the initial reversed and squared precision parameter ${\frac {1}{\sigma _{\mathrm {w} }^{2}}}$ in the machine learning force field method.

---

For the optimization of the reversed and squared noise parameter ${\frac {1}{\sigma _{\mathrm {w} }^{2}}}$ see following section: On-the-fly machine learning force field generation using Bayesian linear regression.

Related Tags and Sections

ML_LMLFF, ML_IREG, ML_SIGV0

Examples that use this tag

---