fix_modify AtC computes

syntax

fix_modify AtC computes <add | delete> [per-atom compute id] <volume | number>

• add | delete (keyword) = 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 = name/id for per-atom compute, fields can be calculated for all per-atom computes available from LAMMPS
  
• volume | number (keyword) = field created 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 the hardy/field type of AtC fix ( see fix atc command )
Per-atom compute must be specified before corresponding continuum field can be requested

related

See manual page for compute

default

No defaults exist for this command