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ML FF ICUT2 MB
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Jump to navigationJump to searchML_FF_ICUT2_MB = [integer]
Default: ML_FF_ICUT2_MB = 1
Description: This tag specifies the type of cutoff function used for the angular descriptor in the machine learning force field method.
The following cases are possible for this tag:
- ML_FF_ICUT2_MB=1: Behler-Parinello type cutoff function[1].
- ML_FF_ICUT2_MB=2: Miwa-Ohno type cutoff function[2].
Related Tags and Sections
ML_FF_LMLFF,ML_FF_ICUT2_MB, ML_FF_RCUT1_MB, ML_FF_RCUT2_MB
References
