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ML FF IBROAD2 MB
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Jump to navigationJump to searchML_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).
Related Tags and Sections
ML_FF_LMLFF, ML_FF_SION1_MB, ML_FF_SION2_MB, ML_FF_IBROAD1_MB
