fix_modify AtC atomic_charge

syntax

fix_modify AtC <include | omit> atomic_charge

• <include | omit> = switch to activiate/deactiviate inclusion of intrinsic atomic charge in ATC

examples

fix_modify atc compute include atomic_charge

description

Determines whether AtC tracks the total charge as a finite element field

restrictions

Required for: electrostatics

related

default

if the atom charge is defined, default is on, otherwise default is off