Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F68950297
create_box.html
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Sat, Jun 29, 15:14
Size
2 KB
Mime Type
text/html
Expires
Mon, Jul 1, 15:14 (1 d, 23 h)
Engine
blob
Format
Raw Data
Handle
18431446
Attached To
rLAMMPS lammps
create_box.html
View Options
<HTML>
<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>
</CENTER>
<HR>
<H3>create_box command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>create_box N region-ID
</PRE>
<UL><LI>N = # of atom types to use in this simulation
<LI>region-ID = ID of region to use as simulation domain
</UL>
<P><B>Examples:</B>
</P>
<PRE>create_box 2 mybox
</PRE>
<P><B>Description:</B>
</P>
<P>This command creates a simulation box based on the specified region.
Thus a <A HREF = "region.html">region</A> command must first be used to define a
geometric domain.
</P>
<P>The argument N is the number of atom types that will be used in the
simulation.
</P>
<P>If the region is not of style <I>prism</I>, then LAMMPS encloses the region
(block, sphere, etc) with an axis-aligned (orthogonal) box which
becomes the simulation domain.
</P>
<P>If the region is of style <I>prism</I>, LAMMPS creates a non-orthogonal
simulation domain shaped as a parallelepiped with triclinic symmetry.
See the <A HREF = "region.html">region prism</A> command for a description of how
the shape of the parallelepiped is defined. The parallelepiped has
its "origin" at (xlo,ylo,zlo) and 3 edge vectors starting from its
origin given by a = (xhi-xlo,0,0); b = (xy,yhi-ylo,0); c =
(xz,yz,zhi-zlo).
</P>
<P>A prism region used with the create_box command must have tilt factors
(xy,xz,yz) that do not skew the box more than half the distance of the
parallel box length. For example, if xlo = 2 and xhi = 12, then the x
box length is 10 and the xy tilt factor must be between -5 and 5.
Similarly, both xz and yz must be between -(xhi-xlo)/2 and
+(yhi-ylo)/2. Note that this is not a limitation, since if the
maximum tilt factor is 5 (as in this example), then configurations
with tilt = ..., -15, -5, 5, 15, 25, ... are all equivalent.
</P>
<P>When a prism region is used, the simulation domain must be periodic in
any dimensions with a non-zero tilt factor, as defined by the
<A HREF = "boundary.html">boundary</A> command. I.e. if the xy tilt factor is
non-zero, then both the x and y dimensions must be periodic.
Similarly, x and z must be periodic if xz is non-zero and y and z must
be periodic if yz is non-zero.
</P>
<P><B>Restrictions:</B>
</P>
<P>An <A HREF = "atom_style.html">atom_style</A> and <A HREF = "region.html">region</A> must have
been previously defined to use this command.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "create_atoms.html">create_atoms</A>, <A HREF = "region.html">region</A>
</P>
<P><B>Default:</B> none
</P>
</HTML>
Event Timeline
Log In to Comment