ML IREG: Difference between revisions
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== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG| | {{TAG|ML_FF_LMLFF}}, {{TAG|ML_FF_SIGV0_MB}}, {{TAG|ML_FF_SIGW0_MB}} | ||
{{sc|ML_FF_IREG_MB|Examples|Examples that use this tag}} | {{sc|ML_FF_IREG_MB|Examples|Examples that use this tag}} | ||
Revision as of 17:54, 19 May 2019
ML_FF_IREG_MB = [integer]
Default: ML_FF_IREG_MB = 2
Description: This tag specifies whether the noise parameters are kept constant or not in the machine learning force field method.
The following cases are possible for this tag:
- ML_FF_IREG_MB=1: The precision (ML_FF_SIGV0_MB) and noise (ML_FF_SIGW0_MB) parameters are kept constant.
- ML_FF_IREG_MB=2: The parameters are optimized.
Related Tags and Sections
ML_FF_LMLFF, ML_FF_SIGV0_MB, ML_FF_SIGW0_MB