# fix nve/bpm/sphere command ## Syntax fix ID group-ID nve/bpm/sphere - ID, group-ID are documented in [fix](fix) command - nve/bpm/sphere = style name of this fix command - zero or more keyword/value pairs may be appended - keyword = *disc* *disc* value = none = treat particles as 2d discs, not spheres ## Examples ``` LAMMPS fix 1 all nve/bpm/sphere fix 1 all nve/bpm/sphere disc ``` ## Description ::: versionadded 4May2022 ::: Perform constant NVE integration to update position, velocity, angular velocity, and quaternion orientation for finite-size spherical 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](fix_nve) command, which assumes point particles and only updates their position and velocity. It also differs from the [fix nve/sphere](fix_nve_sphere) command which assumes finite-size spheroid particles which do not store a quaternion. It thus does not update a particle\'s orientation or quaternion. If the *disc* keyword is used, then each particle is treated as a 2d disc (circle) instead of as a sphere. This is only possible for 2d simulations, as defined by the [dimension](dimension) keyword. The only difference between discs and spheres in this context is their moment of inertia, as used in the time integration. ------------------------------------------------------------------------ ## Restart, fix_modify, output, run start/stop, minimize info No information about this fix is written to [binary restart files](restart). None of the [fix_modify](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](Howto_output). No parameter of this fix can be used with the *start/stop* keywords of the [run](run) command. This fix is not invoked during [energy minimization](minimize). ## Restrictions This fix is part of the BPM package. It is only enabled if LAMMPS was built with that package. See the [Build package](Build_package) page for more info. This fix requires that atoms store torque, angular velocity (omega), a radius, and a quaternion as defined by the [atom_style bpm/sphere](atom_style) command. All particles in the group must be finite-size spheres with quaternions. They cannot be point particles. Use of the *disc* keyword is only allowed for 2d simulations, as defined by the [dimension](dimension) keyword. ## Related commands [fix nve](fix_nve), [fix nve/sphere](fix_nve_sphere) ## Default none