ML W1
ML_W1 = [real]
Default: ML_W1 = 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 [math]\displaystyle{ W_{2} }[/math] is internally derived from the weight of the radial descriptor [math]\displaystyle{ W_{1} }[/math] as:
[math]\displaystyle{ W_{2}=1.0-W_{1}. }[/math]
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_LMLFF, ML_RCUT1, ML_RCUT2, ML_SION1, ML_SION2