git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@784 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-08-07 13:59:29 +00:00
parent 7f40d0eacb
commit e78440db6f
2 changed files with 24 additions and 8 deletions

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@ -56,15 +56,23 @@ this command, a lattice must also be defined using the
<I>single</I> style with units = box.
</P>
<P>For the <I>box</I> style, the create_atoms command fills the entire
simulation box with atoms on the lattice. If your box is periodic,
you should insure its size is a multiple of the lattice spacings, to
avoid unwanted atom overlap at the box boundaries.
simulation box with atoms on the lattice. If your simulation box is
periodic, you should insure its size is a multiple of the lattice
spacings, to avoid unwanted atom overlaps at the box boundaries. If
your box is periodic and a multiple of the lattice spacing in a
particular dimension, LAMMPS is careful to put exactly one atom at the
boundary (on either side of the box), not zero or two.
</P>
<P>For the <I>region</I> style, the geometric volume is filled that is inside
the simulation box and is also consistent with the region volume. See
the <A HREF = "region.html">region</A> command for details. Note that a region can
be specified so that its "volume" is either inside or outside a
geometric boundary.
geometric boundary. Also note that if your region is the same size as
a periodic simulation box (in some dimension), LAMMPS does not
implement the same logic as with the <I>box</I> style, to insure exactly
one atom at the boundary. if this is what you desire, you should
either use the <I>box</I> style, or tweak the region size to get precisely
the atoms you want.
</P>
<P>For the <I>single</I> style, a single atom is added to the system at the
specified coordinates. This can be useful for debugging purposes or