ML WTOTEN: Difference between revisions
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{{DEF|ML_FF_WTOTEN|0.005|if {{TAG|ML_FF_IWEIGHT}}{{=}}1|1.0|otherwise}} | {{DEF|ML_FF_WTOTEN|0.005|if {{TAG|ML_FF_IWEIGHT}}{{=}}1|1.0|otherwise}} | ||
Description: | Description: This tag sets the weight for the scaling of the total energy in the training data within the machine learning force field method. | ||
---- | ---- | ||
If {{TAG|ML_FF_IWEIGHT}}=1 the weight has unit eV/atom and is used to divide the data by it. For {{TAG|ML_FF_IWEIGHT}}=2 and 3 the weights are unitless and multiplicative. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_IWEIGHT}},{{TAG|ML_FF_WTIFOR}},{{TAG|ML_FF_WTSIF}} | |||
{{sc|ML_FF_WTOTEN|Examples|Examples that use this tag}} | {{sc|ML_FF_WTOTEN|Examples|Examples that use this tag}} | ||
---- | ---- | ||
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]] | ||
Revision as of 14:49, 17 May 2019
ML_FF_WTOTEN = [real]
| Default: ML_FF_WTOTEN | = 0.005 | if ML_FF_IWEIGHT=1 |
| = 1.0 | otherwise |
Description: This tag sets the weight for the scaling of the total energy in the training data within the machine learning force field method.
If ML_FF_IWEIGHT=1 the weight has unit eV/atom and is used to divide the data by it. For ML_FF_IWEIGHT=2 and 3 the weights are unitless and multiplicative.
Related Tags and Sections
ML_FF_LMLFF, ML_FF_IWEIGHT,ML_FF_WTIFOR,ML_FF_WTSIF