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NWChem Home Page
... by the Molecular Sciences Software group of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL). ...
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From owner-nwchem-users@emsl.pnl.gov Wed Feb 1 16:07:05 2006 ...
<BR> <BR> Yahoo! Photos<BR> Ring in the New Year with Photo Calendars<BR> <BR> ... <BR> With a free 1 GB, there's more in store with Yahoo! Mail. ...
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181 Table 44. Kendall Square Research 2 Wall Clock Timings for ...
File Format: Adobe PostScript - View as HTML Kendall Square Research 2 Wall Clock Timings for GAMESS(US). (a). Benchmark. Basis. # Proc.'s. SCF Time. Total Time. Speedup. (b). Ethylene. 6-311++G** ...
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ARMCI - Aggregate Remote Memory Copy Interface
The homepage for the ARMCI portable remote memory copy library. ... Recent Developments. Dec 24, 2008 -Released ARMCI 1.4 (stable release); Jan 16, ...
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EMSL: News - Environmental Molecular Sciences Symposia ...
Computational Science: New Advances and Recent Applications. We will have an exciting symposium on computational science that will include talks on ...
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15. Tensor Contraction Engine Module: CI, MBPT, and CC
While the MBPT (MP) models implemented in the TCE module give identical correlation energies as conventional implementation for a canonical HF reference of ...
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ARMCI - Aggregate Remote Memory Copy Interface
The homepage for the ARMCI portable remote memory copy library.
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EMSL: NWChem Meeting: Slides and Live Stream Recording of Meetings ...
Feb 6, 2007 ... Due to adverse weather conditions, some speakers were unable to get to the meeting. Their presentations are available for review: ...
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Correlation of Structure and Function of Zinc Metalloproteins Via ...
File Format: PDF/Adobe Acrobat - View as HTML Proposal ID#: 19834. Title: Correlation of Structure and Function of Zinc Metalloproteins Via a Combined. NMR/Molecular Theory Approach. Investigative Team: ...
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5. Top-level directives
5.9 STOP -- Terminate processing. This top-level directive provides a convenient way of verifying an input file without actually running the calculation. ...
