Quadratic String Method
-----------------------

The quadratic string method (QSM) authored by Steven K. Burger
and Weitao Yang is outlined in J. Chem. Phys. 124, 054109 (2006). This
version is coded in Fortran 90 by Steven K. Burger. The implementation is interfaced
to Gaussian 03 (g03) with a series of perl scripts that are customized to
the queuing system available in Prof. Yang's group. Using the code involves
modifying the Makefile, perl scripts and the Fortran routine Funcs.f90 to match 
your system.

Perl Scripts
------------
simple.pl - produces a string of ssh commands to send to different nodes. The only
	    command line argument is the number of images. This then calls sendjobs.pl to run the ssh
            commands in parallel.
sendjobs.pl - Runs each command in argument list in parallel.
format_math_table.pl - Formats data for Gaussian.
getgeh.pl - Gets the energy and gradient from the Gaussian log file.
create_dirs.pl - Creates directories for each image with the correct files. For example
	         it could be run as 'perl create_dirs.pl 10 vinyl' to setup the files
                 for a 10 image vinyl alcohol system. This assumes that the directory
	         vinyl exists. This script should be run by the user before submitting
	         a calculation.

C Shell Scripts
---------------
g03go.sh - Runs g03 locally on a node.
qsm.sh   - Queuing system script to run QSM code.

Fortran Files
-------------
Funcs.f90  main.f90  Master.f90  math_head.f90  MatrixOps.f90  NEB_toolbox.f90  Rotate.f90  skb.f90

Input Files
-----------
file.inp  methCL.inp  vinyl.inp

Only file.inp is read in by the QSM code. Each parameter is described with comments in the file.
This is followed by the Cartesian coordinates of the endpoints. The first three atoms are
used to orient the system. These atoms ideally should not move considerably during the reaction.

