fix_modify AtC computes command
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
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
Calculates continuum fields corresponding to specified per-atom computes created by LAMMPS.
Must be used with fix atc hardy. The per-atom compute must be specified before the corresponding continuum field can be requested.