ML SIGW0: Difference between revisions
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{{DISPLAYTITLE:ML_SIGW0}} | {{DISPLAYTITLE:ML_SIGW0}} | ||
{{TAGDEF|ML_SIGW0|[real]|1.0}} | {{TAGDEF|ML_SIGW0|[real]|} | ||
{{DEF|ML_SIGW0|1E-7|for {{TAG|ML_MODE}} {{=}} REFIT|1.0|else}} | |||
Description: This flag sets the initial reversed and squared precision parameter <math>\frac{1}{\sigma_{\mathrm{w}}^{2}}</math> in the machine learning force field method. | Description: This flag sets the initial reversed and squared precision parameter <math>\frac{1}{\sigma_{\mathrm{w}}^{2}}</math> in the machine learning force field method. | ||
Revision as of 20:47, 26 April 2023
{{TAGDEF|ML_SIGW0|[real]|}
| Default: ML_SIGW0 | = 1E-7 | for ML_MODE = REFIT |
| = 1.0 | else |
Description: This flag sets the initial reversed and squared precision parameter in the machine learning force field method.
For details about the optimization of this regularization parameter see this section.
Related tags and articles
ML_LMLFF, ML_MODE, ML_IREG, ML_SIGV0