fix_modify AtC transfer fields

syntax

fix_modify AtC transfer fields <all | none>
fix_modify AtC transfer fields <add | delete> <list_of_fields>

• all | none (keyword) = output all or no fields
  
• add | delete (keyword) = add or delete the listed output fields
  
• fields (keyword) =
  density : mass per unit volume
  displacement : displacement vector
  momentum : momentum per unit volume
  velocity : defined by momentum divided by density
  projected_velocity : simple kernel estimation of atomic velocities
  temperature : temperature derived from the relative atomic kinetic energy (as done by Hardy)
  kinetic_temperature : temperature derived from the full kinetic energy
  energy : total energy (potential + kinetic) per unit volume
  number_density : simple kernel estimation of number of atoms per unit volume
  stress : Cauchy stress tensor for eulerian analysis (atom_element_map), or 1st Piola-Kirchhoff stress tensor for lagrangian analysis
  transformed_stress : 1st Piola-Kirchhoff stress tensor for eulerian analysis (atom_element_map), or Cauchy stress tensor for lagrangian analysis
  heat_flux : spatial heat flux vector for eulerian, or referential heat flux vector for lagrangian
  

examples

fix_modify AtC transfer fields add velocity temperature

description

Allows modification of the fields calculated and output by the Hardy transfer class. The commands are cumulative, e.g.
fix_modify AtC transfer fields none
followed by
fix_modify AtC transfer fields add velocity temperature
will only output the velocity and temperature fields.

restrictions

Must be used with the hardy AtC transfer, see fix atc command. Currently, the stress and heat flux formulas are only correct for central force potentials, e.g. Lennard-Jones and EAM but not Stillinger-Weber.

related

See fix_modify AtC transfer gradients , fix_modify AtC transfer rates and fix_modify AtC transfer computes

default

All fields are output by default

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