fix mdi/engine command

Syntax

fix ID group-ID mdi/engine

  • ID, group-ID are documented in fix command

  • mdi/engine = style name of this fix command

Examples

fix 1 all mdi/engine

Description

This fix is used along with the mdi/engine command to enable LAMMPS to use the MDI Library to run as an MDI engine. The fix provides hooks that enable MDI driver codes to communicate with LAMMPS at various points within a LAMMPS timestep.

It is not generally necessary to add this fix to a LAMMPS input file, even when using the mdi/engine command. If the mdi/engine command is executed and this fix is not present, it will automatically be added and applied as a new fix for all atoms for the duration of the command. Thus it is only necessary to add this fix to an input file when you want to modify the group-ID or the ordering of this fix relative to other fixes in the input script.

For more information about running LAMMPS as an MDI engine, see the mdi/engine command and the Howto mdi doc page.

Restrictions

This command is part of the MDI package. It is only enabled if LAMMPS was built with that package. See the Build package page for more info.

Default

none