ML LMAX2: Difference between revisions

Revision as of 16:14, 7 June 2021

ML_FF_LMAX2_MB = [integer]
Default: ML_FF_LMAX2_MB = 4

Description: This tag specifies the maximum angular momentum quantum number of spherical harmonics used to expand atomic distributions within the machine learning force field method.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_MSPL1_MB, ML_FF_MSPL2_MB, ML_FF_NR1_MB, ML_FF_NR2_MB, ML_FF_MRB1_MB, ML_FF_MRB2_MB

Examples that use this tag

Revision as of 15:18, 29 February 2020 (view source) Karsai (talk \| contribs) No edit summary ← Older edit		Revision as of 16:14, 7 June 2021 (view source) Karsai (talk \| contribs) No edit summary Newer edit →
Line 1:		Line 1:
	{{TAGDEF\|ML_FF_LMAX2_MB\|[integer]\|6}}		{{TAGDEF\|ML_FF_LMAX2_MB\|[integer]\|4}}

	Description: This tag specifies the maximum angular momentum quantum number of spherical harmonics used to expand atomic distributions within the machine learning force field method.		Description: This tag specifies the maximum angular momentum quantum number of spherical harmonics used to expand atomic distributions within the machine learning force field method.