forked from lijiext/lammps
49 lines
1.3 KiB
Plaintext
Executable File
49 lines
1.3 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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compute temp/asphere command :h3
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[Syntax:]
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compute ID group-ID temp/asphere :pre
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ID, group-ID are documented in "compute"_compute.html command
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temp/asphere = style name of this compute command :ul
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[Examples:]
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compute 1 all temp/asphere
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compute myTemp mobile temp/asphere :pre
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[Description:]
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Define a computation that calculates the temperature of a group of
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aspherical or ellipsoidal particles. The computation is similar to
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"compute_temp"_compute_temp.html, however, additional degrees of
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freedom (2 or 3) are incorporated for particles where the principal
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moments of inertia are unequal. The associated kinetic energy thus
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includes a rotational term KE_rotational = 1/2 I w^2, where I is the
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moment of inertia and w is the angular velocity.
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[Output info:]
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The scalar value calculated by this compute is "intensive", meaning it
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is independent of the number of atoms in the simulation. The vector
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values are "extensive", meaning they scale with the number of atoms in
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the simulation.
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[Restrictions:]
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Can only be used if LAMMPS was built with the "asphere" package.
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[Related commands:]
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"compute temp"_compute_temp.html
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[Default:] none
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