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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) There is currently no serial version built.
| Package | Summary | Distribution | Download |
| nwchem-7.2.3-2.fc42.aarch64.html | Delivering High-Performance Computational Chemistry to Science | Fedora Rawhide for aarch64 | nwchem-7.2.3-2.fc42.aarch64.rpm |
| nwchem-7.2.3-2.fc42.ppc64le.html | Delivering High-Performance Computational Chemistry to Science | Fedora Rawhide for ppc64le | nwchem-7.2.3-2.fc42.ppc64le.rpm |
| nwchem-7.2.3-2.fc42.x86_64.html | Delivering High-Performance Computational Chemistry to Science | Fedora Rawhide for x86_64 | nwchem-7.2.3-2.fc42.x86_64.rpm |
| nwchem-7.2.3-2.fc41.aarch64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 41 updates for aarch64 | nwchem-7.2.3-2.fc41.aarch64.rpm |
| nwchem-7.2.3-2.fc41.x86_64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 41 updates for x86_64 | nwchem-7.2.3-2.fc41.x86_64.rpm |
| nwchem-7.2.3-1.fc41.aarch64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 41 testing updates for aarch64 | nwchem-7.2.3-1.fc41.aarch64.rpm |
| nwchem-7.2.3-1.fc41.aarch64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 41 for aarch64 | nwchem-7.2.3-1.fc41.aarch64.rpm |
| nwchem-7.2.3-1.fc41.ppc64le.html | Delivering High-Performance Computational Chemistry to Science | Fedora 41 for ppc64le | nwchem-7.2.3-1.fc41.ppc64le.rpm |
| nwchem-7.2.3-1.fc41.x86_64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 41 for x86_64 | nwchem-7.2.3-1.fc41.x86_64.rpm |
| nwchem-7.2.3-1.fc41.x86_64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 41 testing updates for x86_64 | nwchem-7.2.3-1.fc41.x86_64.rpm |
| nwchem-7.2.3-1.fc40.aarch64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 40 updates for aarch64 | nwchem-7.2.3-1.fc40.aarch64.rpm |
| nwchem-7.2.3-1.fc40.x86_64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 40 updates for x86_64 | nwchem-7.2.3-1.fc40.x86_64.rpm |
| nwchem-7.2.3-1.el9.aarch64.html | Delivering High-Performance Computational Chemistry to Science | EPEL 9 for aarch64 | nwchem-7.2.3-1.el9.aarch64.rpm |
| nwchem-7.2.3-1.el9.ppc64le.html | Delivering High-Performance Computational Chemistry to Science | EPEL 9 for ppc64le | nwchem-7.2.3-1.el9.ppc64le.rpm |
| nwchem-7.2.3-1.el9.x86_64.html | Delivering High-Performance Computational Chemistry to Science | EPEL 9 for x86_64 | nwchem-7.2.3-1.el9.x86_64.rpm |
| nwchem-7.2.2-4.fc40.aarch64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 40 for aarch64 | nwchem-7.2.2-4.fc40.aarch64.rpm |
| nwchem-7.2.2-4.fc40.ppc64le.html | Delivering High-Performance Computational Chemistry to Science | Fedora 40 for ppc64le | nwchem-7.2.2-4.fc40.ppc64le.rpm |
| nwchem-7.2.2-4.fc40.x86_64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 40 for x86_64 | nwchem-7.2.2-4.fc40.x86_64.rpm |
| nwchem-7.2.2-1.fc39.aarch64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 39 updates for aarch64 | nwchem-7.2.2-1.fc39.aarch64.rpm |
| nwchem-7.2.2-1.fc39.x86_64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 39 updates for x86_64 | nwchem-7.2.2-1.fc39.x86_64.rpm |
| nwchem-7.2.0-4.fc39.aarch64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 39 for aarch64 | nwchem-7.2.0-4.fc39.aarch64.rpm |
| nwchem-7.2.0-4.fc39.ppc64le.html | Delivering High-Performance Computational Chemistry to Science | Fedora 39 for ppc64le | nwchem-7.2.0-4.fc39.ppc64le.rpm |
| nwchem-7.2.0-4.fc39.x86_64.html | Delivering High-Performance Computational Chemistry to Science | Fedora 39 for x86_64 | nwchem-7.2.0-4.fc39.x86_64.rpm |
| nwchem-7.0.2-4.el8.aarch64.html | Delivering High-Performance Computational Chemistry to Science | EPEL 8 for aarch64 | nwchem-7.0.2-4.el8.aarch64.rpm |
| nwchem-7.0.2-4.el8.ppc64le.html | Delivering High-Performance Computational Chemistry to Science | EPEL 8 for ppc64le | nwchem-7.0.2-4.el8.ppc64le.rpm |
| nwchem-7.0.2-4.el8.x86_64.html | Delivering High-Performance Computational Chemistry to Science | EPEL 8 for x86_64 | nwchem-7.0.2-4.el8.x86_64.rpm |
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