ML WTSIF: Difference between revisions
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If {{TAG|ML_IWEIGHT}}=1 the weight has unit kBar and is used to divide the data by it. For {{TAG|ML_IWEIGHT}}=2 and 3 the weights are unitless and multiplicative | If {{TAG|ML_IWEIGHT}}=1 the weight has unit kBar and is used to divide the data by it. For {{TAG|ML_IWEIGHT}}=2 and 3 the weights are unitless and multiplicative. | ||
Revision as of 21:09, 11 October 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