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.

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The weight for the angular descriptor $W_{2}$ is internally derived from the weight of the radial descriptor $W_{1}$ as:

$W_{2}=1.0-W_{1}.$

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

Examples that use this tag

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