lammps/tools
athomps 3da0d2cdb5 Added bond info script for pair reax/c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6091 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-05-12 21:43:56 +00:00
..
amber2lmp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4665 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-02 20:34:43 +00:00
ch2lmp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3144 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-09-04 15:02:22 +00:00
createatoms git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4679 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-02 23:46:27 +00:00
eam_database git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4668 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-02 23:22:18 +00:00
eam_generate git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1028 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-10-12 16:20:03 +00:00
eff git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5713 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:33:57 +00:00
emacs Added emacs syntax highlighting 2010-12-03 19:18:50 +00:00
ipp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4679 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-09-02 23:46:27 +00:00
lmp2arc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:49 +00:00
lmp2cfg git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1741 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-04-11 23:45:44 +00:00
lmp2traj git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1559 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-01 00:06:37 +00:00
lmp2vmd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3997 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-04-14 15:31:35 +00:00
matlab git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3982 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-04-13 14:37:44 +00:00
msi2lmp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1559 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2008-03-01 00:06:37 +00:00
pymol_asphere git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3211 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-10-12 15:12:12 +00:00
python Added checks for natoms=0 2011-03-28 18:11:08 +00:00
reax Added bond info script for pair reax/c 2011-05-12 21:43:56 +00:00
vim Added new instructions and new commands 2010-12-01 22:18:08 +00:00
xmovie git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2650 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-03-16 22:48:14 +00:00
Makefile git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@644 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-22 17:23:42 +00:00
README Added reax to README 2011-03-21 22:40:35 +00:00
binary2txt.cpp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5923 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-04-11 19:42:41 +00:00
chain.f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@175 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-12-07 00:43:04 +00:00
data2xmovie.c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@498 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-04-20 14:06:48 +00:00
def.chain git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:49 +00:00
def.chain.ab git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:49 +00:00
def.micelle2d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:49 +00:00
micelle2d.f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:49 +00:00
restart2data.cpp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6052 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-05-02 15:02:09 +00:00
thermo_extract.c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@341 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-02-22 19:57:04 +00:00

README

LAMMPS pre- and post-processing tools

This directory contains several stand-alone tools for creating LAMMPS
input files and massaging LAMMPS output data.  Instructions on how to
use the tools are discussed in the "Additional Tools" section of the
LAMMPS documentation.

Tools that are single source files in this directory have additional
comments that may be useful at the top of the source file.  Tools that
reside in their own sub-directories have README files you should look
at.

These are the included tools:

amber2lmp	       python scripts for using AMBER to setup LAMMPS input
binary2txt	       convert a LAMMPS dump file from binary to ASCII text
ch2lmp		       convert CHARMM files to LAMMPS input
chain		       create a data file of bead-spring chains
createatoms	       generate lattices of atoms within a geometry
data2xmovie	       convert a data file to a snapshot that xmovie can viz
eam_database	       one tool to generate EAM alloy potential files
eam_generate	       2nd tool to generate EAM alloy potential files
eff		       scripts for working with the eFF (electron force field)
emacs		       add-ons to EMACS editor for editing LAMMPS input scripts
ipp		       input pre-processor Perl tool for creating input scripts
lmp2arc		       convert LAMMPS output to Accelrys Insight format
lmp2cfg		       convert LAMMPS output to CFG files for AtomEye viz
lmp2traj	       convert LAMMPS output to contour, density profiles
lmp2vmd                tools for visualizing and analyzing LAMMPS data with VMD
matlab		       MatLab scripts for post-processing LAMMPS output
micelle2d	       create a data file of small lipid chains in solvent
msi2lmp		       use Accelrys Insight code to setup LAMMPS input
pymol_asphere	       convert LAMMPS output of ellipsoids to PyMol format
python		       Python scripts for post-processing LAMMPS output
reax	       	       Tools for analyzing output of ReaxFF simulations
restart2data	       convert a binary restart file to an input data file
thermo_extract	       C program for extracting thermo info from log file
vim		       add-ons to VIM editor for editing LAMMPS input scripts
xmovie		       a quick/simple viz package (2d projections of 3d)

For tools that are single C, C++, or Fortran files, a Makefile for
building them is included in this directory.  You may need to edit it
for the compilers and paths on your system.

For tools in their own sub-directories, see their README file for info
on how to build and use it.