From bb0fff04685faebf8d190e676277838b422e14ea Mon Sep 17 00:00:00 2001 From: sjplimp Date: Thu, 20 Nov 2014 18:17:51 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12754 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/read_data.html | 8 +++++--- doc/read_data.txt | 8 +++++--- 2 files changed, 10 insertions(+), 6 deletions(-) diff --git a/doc/read_data.html b/doc/read_data.html index 52b17fd4e5..7e76424991 100644 --- a/doc/read_data.html +++ b/doc/read_data.html @@ -199,12 +199,14 @@ bond/create command. This will pre-allocate space in LAMMPS data structures for storing the new bonds (angles, dihedrals, impropers).

-

The "extra special per atom" setting is only needed if new molecules +

The "extra special per atom" setting is typically only needed if new +bonds/angles/etc will be added to the system, e.g. by using the fix +bond/create command. Or if entire new molecules will be added to the system, e.g. by using the fix deposit or fix pour commands, which will have more special 1-2,1-3,1-4 neighbors than any other molecules -defined in the data file. This will pre-allocate space in the LAMMPS -data structures for storing these neighbors. See the +defined in the data file. Using this setting will pre-allocate space +in the LAMMPS data structures for storing these neighbors. See the special_bonds and molecule doc pages for more discussion of 1-2,1-3,1-4 neighbors.

diff --git a/doc/read_data.txt b/doc/read_data.txt index c75a5cd091..c5251cb5d1 100644 --- a/doc/read_data.txt +++ b/doc/read_data.txt @@ -193,12 +193,14 @@ bond/create"_fix_bond_create.html command. This will pre-allocate space in LAMMPS data structures for storing the new bonds (angles, dihedrals, impropers). -The "extra special per atom" setting is only needed if new molecules +The "extra special per atom" setting is typically only needed if new +bonds/angles/etc will be added to the system, e.g. by using the "fix +bond/create"_fix_bond_create.html command. Or if entire new molecules will be added to the system, e.g. by using the "fix deposit"_fix_deposit.html or "fix pour"_fix_pour.html commands, which will have more special 1-2,1-3,1-4 neighbors than any other molecules -defined in the data file. This will pre-allocate space in the LAMMPS -data structures for storing these neighbors. See the +defined in the data file. Using this setting will pre-allocate space +in the LAMMPS data structures for storing these neighbors. See the "special_bonds"_special_bonds.html and "molecule"_molecule.html doc pages for more discussion of 1-2,1-3,1-4 neighbors.