ML WTSIF: Difference between revisions

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{{DISPLAYTITLE:ML_WTSIF}}
{{TAGDEF|ML_WTSIF|[real]}}
{{TAGDEF|ML_WTSIF|[real]}}
{{DEF|ML_WTSIF|5.0|if {{TAG|ML_IWEIGHT}}{{=}}1|1.0|otherwise}}
{{DEF|ML_WTSIF|5.0|if {{TAG|ML_IWEIGHT}}{{=}}1|1.0|otherwise}}
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== Related Tags and Sections ==
== Related tags and articles ==
{{TAG|ML_LMLFF}}, {{TAG|ML_IWEIGHT}}, {{TAG|ML_WTIFOR}}, {{TAG|ML_WTOTEN}}, {{TAG|ML_IALGO_LINREG}}
{{TAG|ML_LMLFF}}, {{TAG|ML_IWEIGHT}}, {{TAG|ML_WTIFOR}}, {{TAG|ML_WTOTEN}}, {{TAG|ML_IALGO_LINREG}}


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[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]]
[[Category:INCAR tag]][[Category:Machine-learned force fields]]

Latest revision as of 13:32, 8 April 2022

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.


ML_IWEIGHT, ML_WTOTEN, ML_WTIFOR, ML_WTSIF form a group of tags which set the normalization and weighting of ab initio training data, i.e. energies, forces and stresses of the training structures. The main control tag is ML_IWEIGHT, please also have a look at its detailed description. 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 articles

ML_LMLFF, ML_IWEIGHT, ML_WTIFOR, ML_WTOTEN, ML_IALGO_LINREG

Examples that use this tag