lspooky/NWChem

Project ID: 784

Description

NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. Please cite the following reference when publishing results obtained with NWChem: M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong, "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010)

Installation Instructions

Instructions not filled in by author. Author knows what to do. Everybody else should avoid this repo.

Active Releases

The following unofficial repositories are provided as-is by owner of this project. Contact the owner directly for bugs or issues (IE: not bugzilla).

Release Architectures Repo Download
EPEL 6 i386 (0)*, x86_64 (0)* EPEL 6 (92 downloads)
EPEL 7 x86_64 (0)* EPEL 7 (94 downloads)

* Total number of packages downloaded in the last seven days.