ML RCUT1: Difference between revisions

Revision as of 09:53, 16 November 2020

ML_FF_RCUT1_MB = [real]
Default: ML_FF_RCUT1_MB = 5.0

Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method.

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

Revision as of 15:21, 29 February 2020 (view source) Karsai (talk \| contribs) No edit summary ← Older edit		Revision as of 09:53, 16 November 2020 (view source) Karsai (talk \| contribs) No edit summary Newer edit →
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	{{TAGDEF\|ML_FF_RCUT1_MB\|[real]\|{{TAG\|~~ML_FF_RCUT2_MB~~}}}}		{{TAGDEF\|ML_FF_RCUT1_MB\|[real]\|{{TAG\|5.0}}}}

	Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method.		Description: This flag sets the cutoff radius for the radial descriptor in the machine learning force field method.