ML WTSIF: Difference between revisions

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== Related Tags and Sections ==
== Related Tags and Sections ==
{{TAG|ML_LMLFF}}, {{TAG|ML_IWEIGHT}},{{TAG|ML_WTIFOR}},{{TAG|ML_WTOTEN}}
{{TAG|ML_LMLFF}}, {{TAG|ML_IWEIGHT}}, {{TAG|ML_WTIFOR}}, {{TAG|ML_WTOTEN}}


{{sc|ML_WTSIF|Examples|Examples that use this tag}}
{{sc|ML_WTSIF|Examples|Examples that use this tag}}

Revision as of 10:59, 6 September 2021

ML_WTSIF = [real] 

Default: ML_WTSIF = 5.0 if ML_IWEIGHT=1
= 1.0 otherwise

Description: This tag sets the weight for the scaling of the stress in the training data within the machine learning force field method.


If ML_IWEIGHT=1 the weight has unit kBar 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_WTIFOR, ML_WTOTEN

Examples that use this tag