fix_modify AtC extrinsic electron_integration

syntax

fix_modify AtC extrinsic electron_integration <integration_type> <num_subcyle_steps(optional)>

• integration_type (string) = explicit | implicit | steady
  

num_subcycle_steps (int), optional = number of subcycle steps for the electron time integration

examples

fix_modify AtC extrinsic electron_integration implicit
fix_modify AtC extrinsic electron_integration explicit 100

description

Switches between integration scheme for the electron temperature. The number of subcyling steps used to integrate the electron temperature 1 LAMMPS timestep can be manually adjusted to capture fast electron dynamics.

restrictions

For use only with two_temperature type of AtC fix ( see fix atc command )

default

implicit
subcycle_steps = 1

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