fix nve/body command

Syntax

fix ID group-ID nve/body
  • ID, group-ID are documented in fix command
  • nve/body = style name of this fix command

Examples

fix 1 all nve/body

Description

Perform constant NVE integration to update position, velocity, orientation, and angular velocity for body particles in the group each timestep. V is volume; E is energy. This creates a system trajectory consistent with the microcanonical ensemble. See Section 6.14 of the manual and the body doc page for more details on using body 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 BODY package. It is only enabled if LAMMPS was built with that package. See the Making LAMMPS section for more info.

This fix requires that atoms store torque and angular momentum and a quaternion as defined by the atom_style body command.

All particles in the group must be body particles. They cannot be point particles.