ML WTIFOR: Difference between revisions
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{{TAGDEF| | {{TAGDEF|ML_WTIFOR|[real]}} | ||
{{DEF| | {{DEF|ML_WTIFOR|0.05|if {{TAG|ML_IWEIGHT}}{{=}}1|1.0|otherwise}} | ||
Description: This tag sets the weight for the scaling of the forces in the training data within the machine learning force field method. | Description: This tag sets the weight for the scaling of the forces in the training data within the machine learning force field method. | ||
---- | ---- | ||
If {{TAG| | If {{TAG|ML_IWEIGHT}}=1 the weight has unit eV/Angstrom and is used to divide the data by it. For {{TAG|ML_IWEIGHT}}=2 and 3 the weights are unitless and multiplicative | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG| | {{TAG|ML_LMLFF}}, {{TAG|ML_IWEIGHT}}, {{TAG|ML_WTOTEN}}, {{TAG|ML_WTSIF}} | ||
{{sc| | {{sc|ML_WTIFOR|Examples|Examples that use this tag}} | ||
---- | ---- | ||
[[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 11:01, 6 September 2021
ML_WTIFOR = [real]
| Default: ML_WTIFOR | = 0.05 | if ML_IWEIGHT=1 |
| = 1.0 | otherwise |
Description: This tag sets the weight for the scaling of the forces in the training data within the machine learning force field method.
If ML_IWEIGHT=1 the weight has unit eV/Angstrom and is used to divide the data by it. For ML_IWEIGHT=2 and 3 the weights are unitless and multiplicative
Related Tags and Sections
ML_LMLFF, ML_IWEIGHT, ML_WTOTEN, ML_WTSIF