forked from lijiext/lammps
59 lines
1.7 KiB
Plaintext
59 lines
1.7 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 command :h3
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[Syntax:]
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compute ID group-ID erotate/sphere :pre
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ID, group-ID are documented in "compute"_compute.html command
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erotate/sphere = style name of this compute command :ul
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[Examples:]
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compute 1 all erotate/sphere :pre
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[Description:]
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Define a computation that calculates the rotational kinetic energy of
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a group of spherical particles.
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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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[Output info:]
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This compute calculates a global scalar (the KE). This value can be
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used by any command that uses a global scalar value from a compute as
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input. See "this section"_Section_howto.html#4_15 for an overview of
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LAMMPS output options.
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The scalar value calculated by this compute is "extensive", meaning it
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it scales with the number of atoms in the simulation.
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[Restrictions:]
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This compute requires that atoms store angular velocity (omega) as
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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.
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All particles in the group must be finite-size spheres or point
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particles. They cannot be aspherical. Point particles will not
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contribute to the rotational energy.
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[Related commands:]
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"compute erotate/asphere"_compute_rotate_asphere.html
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[Default:] none
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