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ML FF W1 MB

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ML_FF_W1_MB = [real]
Default: ML_FF_W1_MB = 0.5 

Description: This tag defines the weight for the radial (and angular) descriptor within the machine learning force field method.


The weight for the angular descriptor is internally derived from the weight of the radial descriptor as:

By default this descriptor is used together with the angular descriptor with equal weights. If the weight of either becomes 0 then the internal routines for that descriptor are mostly skipped.

Related Tags and Sections

ML_FF_LMLFF, ML_FF_ISOAP1_MB, ML_FF_ISOAP2_MB, ML_FF_RCUT1_MB, ML_FF_RCUT2_MB, ML_FF_SION1_MB,ML_FF_SION2_MB

Examples that use this tag