ML RCUT2: Difference between revisions
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Description: This flag sets the cutoff radius for the angular descriptor in the machine learning force field method. | Description: This flag sets the cutoff radius for the angular 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 = 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 .
Related Tags and Sections
ML_FF_LMLFF, ML_FF_RCUT1_MB, ML_FF_W1_MB, ML_FF_W2_MB