2007-02-10 05:40:32 +08:00
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"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 ke/atom command :h3
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[Syntax:]
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compute ID group-ID ke/atom :pre
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ID, group-ID are documented in "compute"_compute.html command
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ke/atom = style name of this compute command :ul
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[Examples:]
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compute 1 all ke/atom :pre
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[Description:]
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2008-03-19 05:49:24 +08:00
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Define a computation that calculates the per-atom translational
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kinetic energy for each atom in a group.
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2007-11-20 23:37:16 +08:00
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2007-02-10 05:40:32 +08:00
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The kinetic energy is simply 1/2 m v^2, where m is the mass and v is
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the velocity of each atom.
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2008-03-19 05:49:24 +08:00
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The value of the kinetic energy will be 0.0 for atoms not in the
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specified compute group.
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2008-01-04 08:56:10 +08:00
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[Output info:]
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2009-12-05 05:04:00 +08:00
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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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2011-08-26 01:01:01 +08:00
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"this section"_Section_howto.html#howto_15 for an overview of LAMMPS
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2009-12-05 05:04:00 +08:00
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output options.
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2008-01-04 08:56:10 +08:00
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2010-01-24 07:20:05 +08:00
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The per-atom vector values will be in energy "units"_units.html.
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2007-02-10 05:40:32 +08:00
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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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