ML RCUT1: Difference between revisions

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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.
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The unit of the cut-off radius is given in <math>\AA</math>.


== Related Tags and Sections ==
== Related Tags and Sections ==

Revision as of 10:20, 16 July 2019

ML_FF_RCUT1_MB = [real]
Default: ML_FF_RCUT1_MB = ML_FF_RCUT2_MB 

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 .

Related Tags and Sections

ML_FF_LMLFF, ML_FF_RCUT2_MB, ML_FF_W1_MB, ML_FF_W2_MB

Examples that use this tag