fix_modify AtC control localized_lambda

syntax

fix_modify AtC control localized_lambda <on|off>

examples

fix_modify atc control localized_lambda on

description

Turns on localization algorithms for control algorithms to restrict the influence of FE coupling or boundary conditions to a region near the boundary of the MD region. Control algorithms will not affect atoms in elements not possessing faces on the boundary of the region. Flux-based control is localized via row-sum lumping while quantity control is done by solving a truncated matrix equation.

restrictions

related

default

Default is off.


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