lammps/tools

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 Tools section of the LAMMPS
documentation.  The source files in this directory have additional
comments that may be useful at the top of the code.  The packages that
reside in their own sub-directories have README files of their own
that you want to look at.

You will need to compile each of these tools if you wish to use them.
Building LAMMPS itself (in the src dir) does not build these tools.

These are the included tools:

binary2txt	       convert a LAMMPS dump file from binary to ASCII text
replicate	       replicate a LAMMPS data file in one or more dimensions
restart2data	       convert a binary restart file to an input data file
data2xmovie	       convert a data file to a snapshot that xmovie can viz
chain		       create a data file of bead-spring chains
micelle2d	       create a data file of small lipid chains in solvent

xmovie		       a quick/simple viz package that displays 2d projections
			 of 3d LAMMPS snapshots

amber2lammps	       python scripts for using AMBER to setup LAMMPS input
ch2lmp		       convert CHARMM files to LAMMPS input
lmp2arc		       convert LAMMPS output to Accelrys Insight format
		         for analysis
lmp2cfg		       convert LAMMPS output to CFG files that can be
		         read by AtomEye visualizer
lmp2traj	       convert LAMMPS output to contour, density profiles 
msi2lmp		       use the Accelrys Insight (nee MSI/Biosym Discover)
		         code to setup LAMMPS input

The set of tools are single C, C++, or Fortran files.  A Makefile for
building them is included in this directory, but you will have to edit
it for the compilers and paths on your system.

The other tools are in their own sub-directories, and each has its own
README file on how to build and use it.