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Figure 18
Smoother step function used in the Delta CSM weight. The `Delta CSM' weight assigned to the Ξ1 neighbor set is equal to 0.0 if the difference ΔSeff(Ξ1, Ξ2) between the effective CSM Seff(Ξ2) of the Ξ2 neighbor set and its own effective CSM Seff(Ξ1) is lower than Δmin. If the difference ΔSeff(Ξ1, Ξ2) is larger than Δmax, the Ξ1 set is assigned a weight of 1.0. The smoother step function is used between these two extremes. The Δmin and Δmax values can be changed if needed and examples of smoother step functions for different values are shown.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 76| Part 4| August 2020| Pages 683-695
https://doi.org/10.1107/S2052520620007994
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