From e78440db6f39e42625a114bcffbebd656e2998df Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 7 Aug 2007 13:59:29 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@784 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/create_atoms.html | 16 ++++++++++++---- doc/create_atoms.txt | 16 ++++++++++++---- 2 files changed, 24 insertions(+), 8 deletions(-) diff --git a/doc/create_atoms.html b/doc/create_atoms.html index f28c670f5d..e7cdd9643f 100644 --- a/doc/create_atoms.html +++ b/doc/create_atoms.html @@ -56,15 +56,23 @@ this command, a lattice must also be defined using the single style with units = box.

For the box 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.

For the region style, the geometric volume is filled that is inside the simulation box and is also consistent with the region volume. See the region 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 box style, to insure exactly +one atom at the boundary. if this is what you desire, you should +either use the box style, or tweak the region size to get precisely +the atoms you want.

For the single style, a single atom is added to the system at the specified coordinates. This can be useful for debugging purposes or diff --git a/doc/create_atoms.txt b/doc/create_atoms.txt index 58671d2611..de5ac07ab9 100644 --- a/doc/create_atoms.txt +++ b/doc/create_atoms.txt @@ -47,15 +47,23 @@ this command, a lattice must also be defined using the {single} style with units = box. For the {box} 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. For the {region} style, the geometric volume is filled that is inside the simulation box and is also consistent with the region volume. See the "region"_region.html 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 {box} style, to insure exactly +one atom at the boundary. if this is what you desire, you should +either use the {box} style, or tweak the region size to get precisely +the atoms you want. For the {single} style, a single atom is added to the system at the specified coordinates. This can be useful for debugging purposes or