ML RCUT1: Difference between revisions
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] |
Revision as of 11:03, 30 January 2020
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