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 [math]\displaystyle{ \frac{1}{\sigma_{\mathrm{w}}^{2}} }[/math] 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