Manual NWCHEMRATE version 2007 Jingjing Zheng Mark A Iron Benjamin A Ellingson Jos C Corchado Yao Yuan Chuang and Donald G Truhlar Department of Chemistry and Supercomputing Institute University of Minnesota Minneapolis Minnesota 55455 Program version 2007 P9 7 NWS 0 Program version date December 26 2007 Manual version date December 26 2007 Copyright 2007 Abstract NWCHEMRATE is a set of FORTRAN subroutines and Unix scripts for interfacing the POLY
NWCHEM Programmer s Guide Release 5 1 High Performance Computational Chemistry Group January 8 2009 DISCLAIMER This material was prepared as an account of work sponsored by an agency of the United States Government Neither the United States Government nor the United States Department of Energy nor Battelle nor any of their employees MAKES ANY WARRANTY EXPRESS OR IMPLIED OR ASSUMES ANY LEGAL LIABILITY OR RESPON SIBILITY FOR THE ACCURACY COMPLETENESS OR USEFULNESS