forked from lijiext/lammps
62 lines
1.8 KiB
Plaintext
62 lines
1.8 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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box command :h3
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[Syntax:]
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box keyword value ... :pre
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one or more keyword/value pairs may be appended :ulb,l
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keyword = {tilt} :l
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{tilt} value = {small} or {large} :pre
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:ule
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[Examples:]
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box tilt large
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box tilt small :pre
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[Description:]
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Set attributes of the simulation box.
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For triclinic (non-orthogonal) simulation boxes, the {tilt} keyword
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allows simulation domains to be created with arbitrary tilt factors,
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e.g. via the "create_box"_create_box.html or
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"read_data"_read_data.html commands. Tilt factors determine how
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skewed the triclinic box is; see "this
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section"_Section_howto.html#howto_12 of the manual for a discussion of
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triclinic boxes in LAMMPS.
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LAMMPS normally requires that no tilt factor can skew the box more
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than half the distance of the parallel box length, which is the 1st
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dimension in the tilt factor (x for xz). If {tilt} is set to
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{small}, which is the default, then an error will be
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generated if a box is created which exceeds this limit. If {tilt}
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is set to {large}, then no limit is enforced. You can create
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a box with any tilt factors you wish.
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Note that if a simulation box has a large tilt factor, LAMMPS will run
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less efficiently, due to the large volume of communication needed to
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acquire ghost atoms around a processor's irregular-shaped sub-domain.
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For extreme values of tilt, LAMMPS may also lose atoms and generate an
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error.
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[Restrictions:]
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This command cannot be used after the simulation box is defined by a
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"read_data"_read_data.html or "create_box"_create_box.html command or
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"read_restart"_read_restart.html command.
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[Related commands:] none
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[Default:]
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The default value is tilt = small.
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