ML W1: Difference between revisions
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{{TAGDEF|ML_FF_W1_MB|[real]|0.5}} | {{TAGDEF|ML_FF_W1_MB|[real]|0.5}} | ||
Description: This tag defines the weight for the radial 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. | ||
---- | ---- | ||
The weight for the angular descriptor <math>W_{2]</math> is internally derived from the weight of the radial descriptor <math>W_{1}</math> as: | |||
By default this descriptor is used together with the angular descriptor | <math>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 == | == Related Tags and Sections == | ||
{{TAG|ML_FF_LMLFF}}, {{TAG| | {{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_ISOAP1_MB}}, {{TAG|ML_FF_ISOAP2_MB}}, {{TAG|ML_FF_RCUT1_MB}}, {{TAG|ML_FF_RCUT2_MB}}, {{TAG|ML_FF_SION1_MB}},{{TAG|ML_FF_SION2_MB}} | ||
{{sc|ML_FF_W1_MB|Examples|Examples that use this tag}} | {{sc|ML_FF_W1_MB|Examples|Examples that use this tag}} | ||
Revision as of 10:03, 16 November 2020
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 Failed to parse (syntax error): {\displaystyle W_{2]} is internally derived from the weight of the radial descriptor as:
Failed to parse (syntax error): {\displaystyle 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_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