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