\(\renewcommand{\AA}{\text{Å}}\)

fix nve/tri command

Syntax

fix ID group-ID nve/tri

  • ID, group-ID are documented in fix command

  • nve/tri = style name of this fix command

Examples

fix 1 all nve/tri

Description

Perform constant NVE integration to update position, velocity, orientation, and angular momentum for triangular particles in the group each timestep. V is volume; E is energy. This creates a system trajectory consistent with the microcanonical ensemble. See the Howto spherical page for an overview of using triangular particles.

This fix differs from the fix nve command, which assumes point particles and only updates their position and velocity.

Restart, fix_modify, output, run start/stop, minimize info

No information about this fix is written to binary restart files. None of the fix_modify options are relevant to this fix. No global or per-atom quantities are stored by this fix for access by various output commands. No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy minimization.

Restrictions

This fix is part of the ASPHERE package. It is only enabled if LAMMPS was built with that package. See the Build package page for more info.

This fix requires that particles be triangles as defined by the atom_style tri command.

Default

none