2008-03-18 08:24:08 +08:00
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Section_commands.html#comm)
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:line
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2008-03-19 04:56:15 +08:00
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fix nve/sphere command :h3
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2008-03-18 08:24:08 +08:00
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[Syntax:]
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2008-03-19 04:56:15 +08:00
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fix ID group-ID nve/sphere :pre
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2008-03-18 08:24:08 +08:00
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2008-03-19 04:56:15 +08:00
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ID, group-ID are documented in "fix"_fix.html command :ulb,l
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nve/sphere = style name of this fix command :l
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zero or more keyword/value pairs may be appended :l
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keyword = {update} :l
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{update} value = {dipole}
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dipole = update orientation of dipole moment during integration :pre
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:ule
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2008-03-18 08:24:08 +08:00
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[Examples:]
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2008-03-19 04:56:15 +08:00
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fix 1 all nve/sphere
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fix 1 all nve/sphere update dipole :pre
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2008-03-18 08:24:08 +08:00
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[Description:]
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2008-03-20 06:51:12 +08:00
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Perform constant NVE integration to update position, velocity, and
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angular velocity for extended spherical particles in the group each
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timestep. V is volume; E is energy. This creates a system trajectory
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consistent with the microcanonical ensemble.
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2008-03-19 04:56:15 +08:00
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This fix differs from the "fix nve"_fix_nve.html command, which
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assumes point particles and only updates their position and velocity.
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If the {update} keyword is used with the {dipole} value, then the
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orientation of the dipole moment of each particle is also updated
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during the time integration. This option should be used for models
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where a dipole moment is assigned to particles via the
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"dipole"_dipole.html command.
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2008-03-18 08:24:08 +08:00
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[Restart, fix_modify, output, run start/stop, minimize info:]
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No information about this fix is written to "binary restart
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files"_restart.html. None of the "fix_modify"_fix_modify.html options
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2010-04-03 00:51:06 +08:00
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are relevant to this fix. No global or per-atom quantities are stored
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by this fix for access by various "output
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2008-03-18 08:24:08 +08:00
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commands"_Section_howto.html#4_15. No parameter of this fix can be
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used with the {start/stop} keywords of the "run"_run.html command.
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This fix is not invoked during "energy minimization"_minimize.html.
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[Restrictions:]
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2009-06-27 02:22:33 +08:00
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This fix requires that atoms store torque and angular velocity (omega)
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as defined by the "atom_style"_atom_style.html. It also require they
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store either a per-particle diameter or per-type "shape"_shape.html. If
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the {dipole} keyword is used, then they must store a dipole moment.
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All particles in the group must be finite-size spheres. They cannot
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be point particles, nor can they be aspherical.
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2008-03-18 08:24:08 +08:00
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[Related commands:]
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2008-03-19 04:56:15 +08:00
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"fix nve"_fix_nve.html, "fix nve/asphere"_fix_nve_asphere.html
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2008-03-18 08:24:08 +08:00
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[Default:] none
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