compute pressure/uef command

Syntax

compute ID group-ID pressure/uef temp-ID keyword ...
  • ID, group-ID are documented in compute command
  • pressure/uef = style name of this compute command
  • temp-ID = ID of compute that calculates temperature, can be NULL if not needed
  • zero or more keywords may be appended
  • keyword = ke or pair or bond or angle or dihedral or improper or kspace or fix or virial

Examples

compute 1 all pressure/uef my_temp_uef
compute 2 all pressure/uef my_temp_uef virial

Description

This command is used to compute the pressure tensor in the reference frame of the applied flow field when fix nvt/uef or fix npt/uef is used. It is not necessary to use this command to compute the scalar value of the pressure. A compute pressure may be used for that purpose.

The keywords and output information are documented in compute_pressure.

Restrictions

This fix is part of the USER-UEF package. It is only enabled if LAMMPS was built with that package. See the Making LAMMPS section for more info.

This command can only be used when fix nvt/uef or fix npt/uef is active.

The kinetic contribution to the pressure tensor will be accurate only when the compute specificed by temp-ID is a compute temp/uef.