fix_modify AtC computes command — LAMMPS documentation

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# fix_modify AtC computes command

## Syntax

    fix_modify <AtC fixID> computes <add|delete> <per-atom compute-ID> <volume|number>

- AtC fixID = ID of fix atc instance

- computes = name of the AtC sub-command

- add or delete = add or delete the calculation of an equivalent continuum field for the specified per-atom compute as volume or number density quantity

- per-atom compute-ID = ID of a per-atom compute; fields can be calculated for all per-atom computes available in LAMMPS

- volume or number = select whether the created field is a per-unit-volume quantity or a per-atom quantity as weighted by kernel functions

## Examples

    compute virial all stress/atom
    fix_modify AtC computes add virial volume
    fix_modify AtC computes delete virial

    compute centrosymmetry all centro/atom
    fix_modify AtC computes add centrosymmetry number

## Description

Calculates continuum fields corresponding to specified per-atom computes created by LAMMPS.

## Restrictions

Must be used with fix atc hardy. The per-atom compute must be specified before the corresponding continuum field can be requested.

## Related AtC commands

- fix_modify AtC command overview

- fix_modify AtC fields

- compute

## Default

None.