July 17, 2021


Lu Gem Gao, Jingjing Zheng, Mark A. Iron, Benjamin A. Ellingson, José C. Corchado, Yao-Yuan Chuang, Xuefei Xu and Donald G. Truhlar
Department of Chemistry and Supercomputing Institute,
University of Minnesota, Minneapolis, MN 55455-0431, USA

NWCHEMRATE 2019 description:


The NWCHEMRATE package is available for downloading (Web access only) through Donald G. Truhlar at the University of Minnesota. To obtain NWCHEMRATE from Minnesota, please fill out the online license form at the link below. You will then receive the password required for downloading by email. NWCHEMRATE distribution at Minnesota is currently being handled by Software Manager.


Using NWCHEMRATE presupposes that the user has both POLYRATE 2017-C and NWChem 6.8 on the same computer working properly before attempting to run NWCHEMRATE. No part of POLYRATE 2017-C or NWChem 6.8 is contained in NWCHEMRATE or needs to be modified for running this program. Thus the user should first obtain POLYRATE from the University of Minnesota, and the user should obtain NWChem from Pacific Northwest National Laboratory, Richland, Washington.

Links to other pages of interest:

This document last modified on Oct. 20, 2022
Updated by:  Software Manager