lammps/tools
sjplimp 474a7279e2 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11995 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-15 13:23:10 +00:00
..
amber2lmp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10935 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-04 16:59:03 +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
colvars git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11447 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-02-01 18:09:33 +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@9183 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-02 16:45:47 +00:00
emacs Added emacs syntax highlighting 2010-12-03 19:18:50 +00:00
fep git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11955 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-09 15:34:57 +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
kate git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9294 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-01-18 16:04:11 +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
lmp2vmd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8261 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-12 22:54:32 +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
moltemplate git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11995 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-15 13:23:10 +00:00
msi2lmp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11643 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-03-19 18:26:56 +00:00
phonon git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9651 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-03-12 15:38:21 +00:00
polybond git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10391 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-07-25 23:51:47 +00:00
pymol_asphere git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10755 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-09-10 23:41:47 +00:00
python git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10062 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-10 14:59:55 +00:00
reax Added bond info script for pair reax/c 2011-05-12 21:43:56 +00:00
vim git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8330 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-19 15:32:37 +00:00
xmgrace git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10826 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-09-23 20:03:18 +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@11046 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-11-22 17:36:13 +00:00
README git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11955 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-05-09 15:34:57 +00:00
binary2txt.cpp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10112 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-27 21:36:57 +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

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
colvars		       post-process output of the fix colvars command        
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
fep		       scripts for free-energy perturbation with USER-FEP pkg
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
phonon                 post-process output of the fix phonon command
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
vim		       add-ons to VIM editor for editing LAMMPS input scripts
xmovie		       a quick/simple viz package (2d projections of 3d)
xmgrace                a collection of scripts to generate xmgrace plots

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.