ML IREG
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