\(\renewcommand{\AA}{\text{Å}}\)
fix_modify AtC control localized_lambda command
Syntax
fix_modify <AtC fixID> control localized_lambda <on|off>
AtC fixID = ID of fix atc instance
control localized_lambda = name of the AtC sub-command
on or off = Toggles state of localization algorithm
Examples
fix_modify AtC control localized_lambda on
Description
Turns the localization algorithms on or off 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
None.
Default
off