forked from lijiext/lammps
62 lines
2.0 KiB
Plaintext
Executable File
62 lines
2.0 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/asphere command :h3
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[Syntax:]
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fix ID group-ID nve/asphere :pre
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ID, group-ID are documented in "fix"_fix.html command
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nve/asphere = style name of this fix command :ul
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[Examples:]
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fix 1 all nve/asphere :pre
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[Description:]
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Perform constant NVE integration to update position, velocity,
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orientation, and angular velocity for aspherical particles in the
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group each timestep. V is volume; E is energy. This creates a system
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trajectory consistent with 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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[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 is part of the "asphere" package. It is only enabled if
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LAMMPS was built with that package. See the "Making
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LAMMPS"_Section_start.html#2_3 section for more info.
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This fix requires that atoms store torque and angular momentum and a
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quaternion to represent their orientation, as defined by the
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"atom_style"_atom_style.html. It also require they store a per-type
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"shape"_shape.html. The particles cannot store a per-particle
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diameter or per-particle mass.
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All particles in the group must be finite-size. They cannot be point
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particles, but they can be aspherical or spherical.
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[Related commands:]
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"fix nve"_fix_nve.html, "fix nve/sphere"_fix_nve_sphere.html
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[Default:] none
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