ML IREG: Difference between revisions
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{{TAGDEF|ML_FF_IREG_MB|[integer]|2}} | {{TAGDEF|ML_FF_IREG_MB|[integer]|2}} | ||
Description: | 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: | |||
*{{TAG|ML_FF_IREG_MB}}=1: The precision ({{TAG|ML_FF_SIGV0_MB}}) and noise ({{TAG|ML_FF_SIGW0_MB}}) parameters are kept constant. | |||
*{{TAG|ML_FF_IREG_MB}}=2: The parameters are optimized. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG|ML_FF_MLFF}}, {{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}} | ||
---- | ---- | ||
[[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]] | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category:VASP6]] | ||
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_MLFF, ML_FF_SIGV0_MB, ML_FF_SIGW0_MB