ML RCUT1: Difference between revisions
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{{TAGDEF| | {{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. | ||
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 . The value of ML_RCUT1 is the default value for ML_RCUT2.
Related Tags and Sections
ML_LMLFF, ML_RCUT2, ML_W1, ML_SION1, ML_SION2