ML W1: Difference between revisions
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{{TAGDEF| | {{TAGDEF|ML_W1|[real]|0.5}} | ||
Description: This tag defines the weight for the radial (and angular) descriptor within the machine learning force field method. | Description: This tag defines the weight for the radial (and angular) descriptor within the machine learning force field method. | ||
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== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG| | {{TAG|ML_LMLFF}}, {{TAG|ML_RCUT1}}, {{TAG|ML_RCUT2}}, {{TAG|ML_SION1}}, {{TAG|ML_SION2}} | ||
{{sc| | {{sc|ML_W1|Examples|Examples that use this tag}} | ||
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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] | ||
Revision as of 11:02, 6 September 2021
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