WMPack Homepage

Date of this version of the software:    October 11, 2018

WMPack - version 1.0

Yan Zhao
State Key Laboratory of Silicate Materials for Architectures, International School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070, People's Republic of China
and Donald G. Truhlar
Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431, USA


WMPack is a computer program for generating input files and computing electronic energies by the WMS, W2X, W3X, and W3X-L multilevel methods. To use the WMS or W2X method in WMPack, one needs the Molpro program, and to use the W3X or W3X-L method in WMPack, one needs the Molpro and MRCC programs. A WMPack license is available free of charge.

Key Reference

"Extrapolation of High-Order Correlation Energies: The WMS Model," Y. Zhao, L. Xia, X. Liao, Q. He, M. X. Zhao, and D. G. Truhlar, Physical Chemistry Chemical Physics, online as Advance Article. doi.org/10.1039/C8CP04973D

WMPack Users Manual

PDF Format

Licensing and Downloading

WMPack - version 1.0 is licensed under the Apache License, Version 2.0.
The manual of WMPack - version 1.0 is licensed under CC-BY-4.0.

Publications of results obtained with the WMPack - version 1.0 software should cite the program and/or the article describing the program.

No guarantee is made that this software is bug-free or suitable for specific applications, and no liability is accepted for any limitations in the mathematical methods and algorithms used within. No consulting or maintenance services are guaranteed or implied.

The use of the WMPack - version 1.0 implies acceptance of the terms of the licenses. The software may be downloaded here.

Links to Other Pages of Interest:

This document last modified on July 12, 2021 by Software Manager