Quadratic string method: A Fortran code for calculating Reaction Paths.

The quadratic string method (QSM) outlined in J. Chem. Phys. 124, 054109 (2006) is coded in Fortran 90 by Steven K. Burger. This 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 a the Fortran routine(Funcs.f90) to match your system.

Two sample systems are included with this distribution: BrCH3Cl- and CH2CHOH. A README file is also included which describes the basic use of the code.

Version 1.0: QSM.tar.gz

If you have any questions about the code email steven.burger@duke.edu .