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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