"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)

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fix nve/asphere command :h3
fix nve/asphere/intel command :h3

[Syntax:]

fix ID group-ID nve/asphere :pre

ID, group-ID are documented in "fix"_fix.html command
nve/asphere = style name of this fix command :ul

[Examples:]

fix 1 all nve/asphere :pre

[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"_fix_nve.html 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"_restart.html.  None of the "fix_modify"_fix_modify.html options
are relevant to this fix.  No global or per-atom quantities are stored
by this fix for access by various "output
commands"_Section_howto.html#howto_15.  No parameter of this fix can
be used with the {start/stop} keywords of the "run"_run.html command.
This fix is not invoked during "energy minimization"_minimize.html.

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Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
hardware, as discussed in "Section 5"_Section_accelerate.html
of the manual.  The accelerated styles take the same arguments and
should produce the same results, except for round-off and precision
issues.

These accelerated styles are part of the GPU, USER-INTEL, KOKKOS,
USER-OMP and OPT packages, respectively.  They are only enabled if
LAMMPS was built with those packages.  See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.

You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the "-suffix command-line
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
use the "suffix"_suffix.html command in your input script.

See "Section 5"_Section_accelerate.html of the manual for
more instructions on how to use the accelerated styles effectively.

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[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_start.html#start_3 section for more info.

This fix requires that atoms store torque and angular momentum and a
quaternion as defined by the "atom_style ellipsoid"_atom_style.html
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:]

"fix nve"_fix_nve.html, "fix nve/sphere"_fix_nve_sphere.html

[Default:] none
