ML WTIFOR
ML_FF_WTIFOR = [real]
| Default: ML_FF_WTIFOR | = 0.05 | if ML_FF_IWEIGHT=1 |
| = 1.0 | otherwise |
Description: This tag sets the weight for the scaling of the forces in the training data within the machine learning force field method.
If ML_FF_IWEIGHT=1 the weight has unit eV/Angstrom 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_WTOTEN,ML_FF_WTSIF