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 Build package doc page 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 specified by temp-ID is a compute temp/uef.