ML RCUT1: Difference between revisions

Revision as of 09:11, 23 August 2021

ML_RCUT1 = [real]
Default: ML_RCUT1 = 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 $\AA$ . The value of ML_RCUT1 is the default value for ML_RCUT2.

Revision as of 09:10, 23 August 2021 (view source) Karsai (talk \| contribs) No edit summary ← Older edit		Revision as of 09:11, 23 August 2021 (view source) Karsai (talk \| contribs) No edit summary Newer edit →
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	{{TAGDEF\|~~ML_RCUT1_MB~~\|[real]\|5.0}}		{{TAGDEF\|ML_RCUT1\|[real]\|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.