forked from lijiext/lammps
69 lines
2.3 KiB
Plaintext
Executable File
69 lines
2.3 KiB
Plaintext
Executable File
"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)
|
|
|
|
:line
|
|
|
|
fix nve/sphere command :h3
|
|
|
|
[Syntax:]
|
|
|
|
fix ID group-ID nve/sphere :pre
|
|
|
|
ID, group-ID are documented in "fix"_fix.html command :ulb,l
|
|
nve/sphere = style name of this fix command :l
|
|
zero or more keyword/value pairs may be appended :l
|
|
keyword = {update} :l
|
|
{update} value = {dipole}
|
|
dipole = update orientation of dipole moment during integration :pre
|
|
:ule
|
|
|
|
[Examples:]
|
|
|
|
fix 1 all nve/sphere
|
|
fix 1 all nve/sphere update dipole :pre
|
|
|
|
[Description:]
|
|
|
|
Perform constant NVE integration to update position, velocity, and
|
|
angular velocity for extended 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.html command, which
|
|
assumes point particles and only updates their position and velocity.
|
|
|
|
If the {update} keyword is used with the {dipole} value, then the
|
|
orientation of the dipole moment of each particle is also updated
|
|
during the time integration. This option should be used for models
|
|
where a dipole moment is assigned to particles via the
|
|
"dipole"_dipole.html command.
|
|
|
|
[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#4_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.
|
|
|
|
[Restrictions:]
|
|
|
|
This fix requires that atoms store torque and angular velocity (omega)
|
|
as defined by the "atom_style"_atom_style.html. It also require they
|
|
store either a per-particle diameter or per-type "shape"_shape.html. If
|
|
the {dipole} keyword is used, then they must store a dipole moment.
|
|
|
|
All particles in the group must be finite-size spheres. They cannot
|
|
be point particles, nor can they be aspherical.
|
|
|
|
[Related commands:]
|
|
|
|
"fix nve"_fix_nve.html, "fix nve/asphere"_fix_nve_asphere.html
|
|
|
|
[Default:] none
|