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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

Related AtC commands

• fix_modify AtC command overview

Default

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