fix_modify AtC atomic_charge command¶

Syntax¶

fix_modify <AtC fixID> <include|omit> atomic_charge

AtC fixID = ID of fix atc instance
include or omit = switch to activate/deactivate inclusion of intrinsic atomic charge in ATC
atomic_charge = name of the AtC sub-command

Examples¶

fix_modify AtC include atomic_charge

Description¶

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

Restrictions¶

Required for: electrostatics

Default¶

If the atom charge is defined, default is on, otherwise default is off.