forked from lijiext/lammps
70 lines
2.1 KiB
HTML
70 lines
2.1 KiB
HTML
<HTML>
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<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
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<HR>
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<H3>box command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>box keyword value ...
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</PRE>
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<UL><LI>one or more keyword/value pairs may be appended
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<LI>keyword = <I>tilt</I>
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<PRE> <I>tilt</I> value = <I>small</I> or <I>large</I>
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</PRE>
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</UL>
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<P><B>Examples:</B>
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</P>
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<PRE>box tilt large
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box tilt small
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>Set attributes of the simulation box.
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</P>
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<P>For triclinic (non-orthogonal) simulation boxes, the <I>tilt</I> keyword
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allows simulation domains to be created with arbitrary tilt factors,
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e.g. via the <A HREF = "create_box.html">create_box</A> or
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<A HREF = "read_data.html">read_data</A> commands. Tilt factors determine how
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skewed the triclinic box is; see <A HREF = "Section_howto.html#howto_12">this
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section</A> of the manual for a discussion of
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triclinic boxes in LAMMPS.
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</P>
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<P>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 <I>tilt</I> is set to
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<I>small</I>, which is the default, then an error will be
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generated if a box is created which exceeds this limit. If <I>tilt</I>
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is set to <I>large</I>, then no limit is enforced. You can create
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a box with any tilt factors you wish.
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</P>
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<P>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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</P>
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<P><B>Restrictions:</B>
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</P>
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<P>This command cannot be used after the simulation box is defined by a
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<A HREF = "read_data.html">read_data</A> or <A HREF = "create_box.html">create_box</A> command or
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<A HREF = "read_restart.html">read_restart</A> command.
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</P>
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<P><B>Related commands:</B> none
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</P>
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<P><B>Default:</B>
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</P>
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<P>The default value is tilt = small.
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</P>
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</HTML>
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