The Billinge group and diffraction sub-group of the DANSE project are pleased to announce the new code release DiffPy-1.0-r3067. The distribution includes PDFgui and PDFfit2 programs for real-space structure refinements to atomic pair distribution functions (PDFs).
This release is our first non-beta release and existing users of PDFgui and PDFfit2 software are recommended to upgrade to this version. Of course, this release is also recommended for new users! The new features in the PDFgui program include improved particle shape factors, addition of 249 space group representations, improved installation and update procedure and many bugfixes. For a detailed list of changes see the "What is new" section in the PDFgui manual at http://www.diffpy.org/doc/pdfgui/pdfgui.html The DiffPy release can be installed on Unix-like systems such as Linux, Mac OSX and on Windows. For more information and for software download see http://www.diffpy.org/ There is no charge to use the software, though if you use the program we ask that you cite the following paper in all resulting publications: C. L. Farrow, P. Juhas, J. W. Liu, D. Bryndin, E. S. Bozin, J. Bloch, Th. Proffen and S. J. L. Billinge, PDFfit2 and PDFgui: Computer programs for studying nanostructure in crystals, J. Phys: Condens. Matter 19, 335219 (2007). A users community forum where you can post questions, which will be answered by the developers and which are archived for future users, can be found at http://groups.google.com/group/diffpy-users We hope you enjoy using the program. We welcome feedback in the form of bug reports and feature requests which we will try and respond to as best as we can. Please also let us know about your successes. This development was funded in part by NSF [*] through the DANSE project, http://danse.us/ (DMR-0520547), and we/they need to hear how the community is using the software. Future NSF funding of software development depends critically on such feedback, so please don't be shy on sharing any success stories enabled by the software. If you are unhappy posting these to diffpy-users, please send them to Prof. Simon Billinge at <sb2...@columbia.edu>. [*] Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the NSF. -- Prof. Simon Billinge Applied Physics & Applied Mathematics Columbia University 500 West 120th Street Room 200 Mudd, MC 4701 New York, NY 10027 Tel: (212)-854-2918 (o) 851-7428 (lab) Condensed Matter and Materials Science Brookhaven National Laboratory P.O. Box 5000 Upton, NY 11973-5000 (631)-344-5387 email: sb2896 at columbia dot edu home: http://nirt.pa.msu.edu/