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ML RCUT2

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Revision as of 11:03, 30 January 2020 by Karsai (talk | contribs)

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ML_FF_RCUT1_MB = [real]
Default: ML_FF_RCUT1_MB = 5.0

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

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

Related Tags and Sections

ML_FF_LMLFF, ML_FF_RCUT1_MB, ML_FF_W1_MB, ML_FF_W2_MB

Examples that use this tag

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