NWChem: Difference between revisions
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[http://www.emsl.pnl.gov/docs/nwchem/nwchem.html Computational chemistry package] | [http://www.emsl.pnl.gov/docs/nwchem/nwchem.html Computational chemistry package] is a computational chemistry package that is designed to run on high-performance parallel supercomputers as well as conventional workstation clusters. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources. NWChem has been developed by the Molecular Sciences Software group of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL). | ||
[[Category: Materials modeling and Computer simulation codes]] | [[Category: Materials modeling and Computer simulation codes]] | ||
Revision as of 15:59, 26 April 2007
Computational chemistry package is a computational chemistry package that is designed to run on high-performance parallel supercomputers as well as conventional workstation clusters. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources. NWChem has been developed by the Molecular Sciences Software group of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL).