fix nve/asphere command¶

Syntax¶

fix ID group-ID nve/asphere

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

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 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.