ML WTSIF: Difference between revisions
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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: This tag sets the weight for the scaling of the | Description: This tag sets the weight for the scaling of the stress in the training data within the machine learning force field method. | ||
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Revision as of 09:55, 28 April 2021
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 stress 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