fix_modify AtC boundary

syntax

fix_modify AtC boundary type <atom-type-id>

• <atom-type-id> = type id for atoms that represent a ficticious boundary internal to the FE mesh

examples

fix_modify AtC boundary type ghost_atoms

description

Command to define the atoms that represent the ficticious boundary internal to the FE mesh. For fully overlapped MD/FE domains with periodic boundary conditions no boundary atoms should be defined.

restrictions

default

none