ML W1

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Revision as of 09:54, 16 November 2020 by Karsai (talk | contribs)

ML_FF_W1_MB = [real]
Default: ML_FF_W1_MB = 0.5 

Description: This tag defines the weight for the radial descriptor within the machine learning force field method.


By default this descriptor is used together with the angular descriptor (see ML_FF_W2_MB).

Related Tags and Sections

ML_FF_LMLFF, ML_FF_W2_MB, ML_FF_ISOAP1_MB

Examples that use this tag