forked from lijiext/lammps
67 lines
2.2 KiB
Plaintext
Executable File
67 lines
2.2 KiB
Plaintext
Executable File
"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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fix nve/sphere command :h3
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[Syntax:]
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fix ID group-ID nve/sphere :pre
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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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[Examples:]
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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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[Description:]
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Perform constant NVE updates of position, velocity, and angular
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velocity for spherical particles in the group each timestep. V is
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volume; E is energy. This creates a system trajectory consistent with
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the microcanonical ensemble.
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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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[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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are relevant to this fix. No global scalar or vector or per-atom
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quantities are stored by this fix for access by various "output
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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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This fix requires that particles be represented as extended spheres
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and not point particles. This means they will have an angular
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velocity and a diameter which is determined either by the
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"shape"_shape.html command or by each particle being assigned an
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individual radius, e.g. for "atom_style granular"_atom_style.html.
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[Related commands:]
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"fix nve"_fix_nve.html, "fix nve/asphere"_fix_nve_asphere.html
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[Default:] none
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