forked from lijiext/lammps
57 lines
1.4 KiB
Plaintext
57 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 meso/e/atom command :h3
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[Syntax:]
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compute ID group-ID meso/e/atom :pre
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ID, group-ID are documented in "compute"_compute.html command
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meso/e/atom = style name of this compute command :ul
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[Examples:]
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compute 1 all meso/e/atom :pre
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[Description:]
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Define a computation that calculates the per-atom internal energy
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for each atom in a group.
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The internal energy is the energy associated with the internal degrees
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of freedom of a mesoscopic particles, e.g. a Smooth-Particle
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Hydrodynamics particle.
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See "this PDF guide"_USER/sph/SPH_LAMMPS_userguide.pdf to using SPH in
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LAMMPS.
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The value of the internal energy will be 0.0 for atoms not in the
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specified compute group.
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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:]
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This compute is part of the USER-SPH 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#start_3 section for more info.
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[Related commands:]
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"dump custom"_dump.html
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[Default:] none
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