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ML FF IBROAD2 MB
ML_FF_IBROAD2_MB = [integer]
Default: ML_FF_IBROAD2_MB = 2
Description: This tag determines how the atomic distribution is broadened for the angular descriptor within the machine learning force field method.
The following cases are possible:
- ML_FF_IBROAD2_MB=1: No broadening.
- ML_FF_IBROAD2_MB=2: Element-independent user specified broadening (by using the tag ML_FF_SION2_MB).
- ML_FF_IBROAD2_MB=3: Element-dependent user specified broadening (by using the tag ML_FF_SION2_MB).