forked from lijiext/lammps
54 lines
1.4 KiB
Plaintext
54 lines
1.4 KiB
Plaintext
"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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compute erotate/sphere/atom command :h3
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[Syntax:]
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compute ID group-ID erotate/sphere/atom :pre
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ID, group-ID are documented in "compute"_compute.html command
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erotate/sphere/atom = style name of this compute command :ul
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[Examples:]
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compute 1 all erotate/sphere/atom :pre
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[Description:]
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Define a computation that calculates the rotational kinetic energy for
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each particle in a group.
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The rotational energy is computed as 1/2 I w^2, where I is the moment
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of inertia for a sphere and w is the particle's angular velocity.
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IMPORTANT NOTE: For "2d models"_dimension.html, particles are treated
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as spheres, not disks, meaning their moment of inertia will be the
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same as in 3d.
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The value of the rotational kinetic energy will be 0.0 for atoms not
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in the specified compute group or for point particles with a radius =
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0.0.
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[Output info:]
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This compute calculates a per-atom vector, which can be accessed by
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any command that uses per-atom values from a compute as input. See
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"Section_howto 15"_Section_howto.html#howto_15 for an overview of
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LAMMPS output options.
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The per-atom vector values will be in energy "units"_units.html.
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[Restrictions:] none
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[Related commands:]
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"dump custom"_dump.html
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[Default:] none
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