Mosaic Basis Set Utility



 Electronic Structure Practioners:
 This note is to announce the availability of a Gaussian basis set utility on
 the EMSL/MSRC Mosaic Home Page (http://www.emsl.pnl.gov:2080/).  The Mosaic
 utility allows the user to extract one or more of the over 70 basis sets
 in the library in a format appropriate for a variety of quantum chemistry
 applications.  Certain minor transformations of the basis sets are possible,
 which will make generally contracted basis sets perform better in codes which
 don't explicitly support them.  New basis sets are being continually added.
 Users are requested to inform us of any problems, bugs or mistakes they
 discover.
 As part of the software development project which supports the new
 Environmental and Molecular Sciences Laboratory (EMSL) here in Richland, we
 have developed a Gaussian basis set library and various tools for extracting
 the data.  Most of the tools have been prototyped under the Mac OS or on Unix
 systems under Motif, but are not ready for public distribution.  While the
 functionality of the Mosaic interface is much less than these prototypes, it
 is available now.
 In the future the Extensible Computational Chemistry and the High Performance
 Computing Groups in the MSRC hope to provide a collection of software which
 addresses many of the needs of computational chemists.
 Finally, many people within the MSRC have provided assistance in this project.
 These include Thom Dunning, Kirk Peterson, Dave Woon, Rick Kendall and
 others who have contributed basis set files.
 David Feller
 Karen Schuchardt
 David Feller
 Molecular Science Research Center
 Battelle Pacific Northwest Labs
 Mail Stop K1-96
 Battelle Blvd
 Richland, WA 99352