\(\renewcommand{\AA}{\text{Å}}\)
fix_modify AtC extrinsic electron_integration command
Syntax
fix_modify <AtC fixID> extrinsic electron_integration <integration_type> [<num_subcycle_steps>]
AtC fixID = ID of fix atc instance
extrinsic electron_integration = name of the AtC sub-command
integration_type = explicit or implicit or steady
num_subcycle_steps = number of subcycle steps for the electron time integration (optional)
Examples
fix_modify AtC extrinsic electron_integration implicit
fix_modify AtC extrinsic electron_integration explicit 100
Description
Switches between integration schemes for the electron temperature. The number of subcycling steps used to integrate the electron temperature for one LAMMPS timestep can be manually adjusted to capture fast electron dynamics.
Restrictions
For use only with the two_temperature type of the AtC fix (see fix atc command)
Default
implicit and subcycle_steps = 1