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Difference between revisions of "ML FF WTSIF"
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Jump to navigationJump to search (Created page with "{{TAGDEF|ML_FF_WTSIF|[real]}} {{DEF|ML_FF_WTSIF|5.0|if {{TAG|ML_FF_IWEIGHT}}{{=}}1|1.0|otherwise}} Description: ---- == Related Tags and Sections == {{sc|ML_FF_WTSIF|Exampl...") |
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{{DEF|ML_FF_WTSIF|5.0|if {{TAG|ML_FF_IWEIGHT}}{{=}}1|1.0|otherwise}} | {{DEF|ML_FF_WTSIF|5.0|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 kBar 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_WTOTEN}} | ||
{{sc|ML_FF_WTSIF|Examples|Examples that use this tag}} | {{sc|ML_FF_WTSIF|Examples|Examples that use this tag}} | ||
Revision as of 14:51, 17 May 2019
ML_FF_WTSIF = [real]
| Default: ML_FF_WTSIF | = 5.0 | 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 kBar 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_WTOTEN
