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Difference between revisions of "ML FF IBROAD2 MB"
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| − | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: | + | [[Category:INCAR]][[Category:Machine Learning]][[Category:Machine Learned Force Fields]][[Category: Alpha]] |
Latest revision as of 15:16, 29 February 2020
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).
Related Tags and Sections
ML_FF_LMLFF, ML_FF_SION1_MB, ML_FF_SION2_MB, ML_FF_IBROAD1_MB
