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 (120 downloads) |
|
EPEL 7
|
x86_64 (14)* | EPEL 7 (124 downloads) |
* Total number of downloaded packages.