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ML FF W1 MB
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Jump to navigationJump to searchML_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