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fix_modify AtC add_molecule command

Syntax

fix_modify <AtC fixID> add_molecule <small|large> <tag> <group-ID>

  • AtC fixID = ID of fix atc instance

  • add_molecule = name of the AtC sub-command

  • small or large = can be small if molecule size < cutoff radius, must be large otherwise

  • tag = tag for tracking a molecule

  • group-ID = LAMMPS defined group-ID

Examples

group WATERGROUP type 1 2
fix_modify AtC add_molecule small water WATERGROUP

Description

Associates a tag with all molecules corresponding to a specified group.

Restrictions

None.

Default

None.