ML WTIFOR: Difference between revisions
No edit summary |
mNo edit summary |
||
| Line 5: | Line 5: | ||
---- | ---- | ||
If {{TAG|ML_IWEIGHT}}=1 the weight has unit eV/Angstrom 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 eV/Angstrom and is used to divide the data by it. For {{TAG|ML_IWEIGHT}}=2 and 3 the weights are unitless and multiplicative. | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 21:08, 11 October 2021
ML_WTIFOR = [real]
| Default: ML_WTIFOR | = 0.05 | if ML_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_IWEIGHT=1 the weight has unit eV/Angstrom 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_WTOTEN, ML_WTSIF