\(\renewcommand{\AA}{\text{Å}}\)
fix_modify AtC consistent_fe_initialization command
Syntax
fix_modify <AtC fixID> consistent_fe_initialization <on|off>
AtC fixID = ID of fix atc instance
consistent_fe_initialization = name of the AtC sub-command
on or off = switch to activate/deactivate the initial setting of the FE intrinsic field to match the projected MD field
Examples
fix_modify AtC consistent_fe_initialization on
Description
Determines whether AtC initializes FE intrinsic fields (e.g., temperature) to match the projected MD values. This is particularly useful for fully overlapping simulations.
Restrictions
Can be used with: thermal, two_temperature. Cannot be used with time filtering on. Does not include boundary nodes.
Default
Default is off