Syntax:
fix ID group-ID nve/asphere
Examples:
fix 1 all nve/asphere
Description:
Perform constant NVE integration to update position, velocity, orientation, and angular velocity for aspherical particles in the group each timestep. V is volume; E is energy. This creates a system trajectory consistent with the microcanonical ensemble.
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 Making LAMMPS section for more info.
This fix requires that atoms store torque and angular momementum and a quaternion as defined by the atom_style ellipsoid command.
All particles in the group must be finite-size. They cannot be point particles, but they can be aspherical or spherical as defined by their shape attribute.
Related commands:
Default: none