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fix_modify AtC extrinsic exchange command

Syntax

fix_modify <AtC fixID> extrinsic exchange <on|off>
  • AtC fixID = ID of fix atc instance

  • extrinsic exchange = name of the AtC sub-command

  • on or off = set state of energy exchange

Examples

fix_modify AtC extrinsic exchange on

Description

Switches energy exchange between the MD system and the electron system on or off

Restrictions

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

Default

on