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Acknowledgments
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Acknowledgments
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A number of people provided helpful feedback during the development of <span class="application">GaussSum</span>. The following names are listed in no particular order:
</p><div class="itemizedlist"><ul class="itemizedlist" style="list-style-type: disc; "><li class="listitem"><p>shaloncai reported an error in the data written in UVData.txt.</p></li><li class="listitem"><p>Rudy Coquet reported an error in the data written in CDSpectrum.txt.</p></li><li class="listitem"><p>Fabrizia Fabrizi de Biani reported an error in the labels used in UVData.txt.</p></li><li class="listitem"><p>Tong Glenna reported an error in the major and minor contributions in UVData.txt.</p></li><li class="listitem"><p>Christos Garoufalis reported a problem parsing PC-GAMESS files with large basis sets.</p></li><li class="listitem"><p>Emmanuel Koukaras reported a bug in the output of DOS_spectrum.txt, as well as a problem plotting the COOP.</p></li><li class="listitem"><p>Xinyu Huang reported a bug plotting the PDOS.</p></li><li class="listitem"><p>Yafei Dai reported problems parsing Gaussian files with "pop=regular".</p></li><li class="listitem"><p>Charles Bradshaw reported problems plotting the vibrational frequencies for GAMESS calculations.</p></li><li class="listitem"><p>Juan Sotelo-Campos pointed out that the COOP was only being calculated for alpha orbitals in unrestricted calculations.</p></li><li class="listitem"><p>Dr. Carlo Nervi, Torino, who found a bug in EDDM.py</p></li><li class="listitem"><p>James Hepburn, Aberdeen, who found that Hyperchem code had been neglected</p></li><li class="listitem"><p>Prof Ziyang Liu, Zhejiang University, P.R.China, who found a bug in the output of MO.py for unrestricted calculations</p></li><li class="listitem"><p>Fred Coughlin, Princeton, U.S., who found a couple of bugs in my code for CD spectra</p></li><li class="listitem"><p>Li Daobing and Jordan Mantha who have packaged GaussSum up for Debian and Ubuntu users</p></li><li class="listitem"><p>Neil Berry, Liverpool, who helped to increase <span class="application">GaussSum</span> support for GAMESS files</p></li><li class="listitem"><p>Julien Chiron, Faculté des Sciences de Saint Jérôme, Marseille, France helped me add support for GAMESS and is perhaps the first Mac user of GaussSum (see screenshots)</p></li><li class="listitem"><p>Avril Coghlan, formerly of Trinity College Dublin, Ireland, thought of the name (it rhymes with awesome!) and suggested various web page improvements</p></li><li class="listitem"><p>Elmar Gerwalin, University of Kaiserslautern, Germany, who helped me enormously in getting <span class="application">GaussSum</span> (a) to run in Linux and (b) to work for other people's calculations</p></li><li class="listitem"><p>Denis G. Golovanov, Russian Academy of Sciences, Moscow and his non-symmetry-containing logfile provided another challenge to GaussSum</p></li><li class="listitem"><p>Guillaume Herlam, Université de Franche-Comté, Besançon, France who requested and tested COOP diagrams</p></li><li class="listitem"><p>Roma Oakes, Queens University Belfast, made many useful comments regarding the initial development, especially regarding <span class="command"><strong>IR_Raman.py</strong></span></p></li><li class="listitem"><p>Ullrich Siehl, University of Ulm, Germany, who made a number of suggestions that lead to the creation of version 0.9.</p></li></ul></div><p>
In order to create <span class="application">GaussSum</span>, I had to learn a few things. I found the following resources very helpful:
</p><div class="itemizedlist"><ul class="itemizedlist" style="list-style-type: disc; "><li class="listitem"><p>O'Reilly's <a class="ulink" href="http://www.oasis-open.org/docbook/documentation/reference/html/docbook.html" target="_top">The Definitive Guide to DocBook</a> came in handy when writing the documentation.</p></li><li class="listitem"><p>O'Reilly's <a class="ulink" href="http://www.oreilly.com/catalog/lpython/" target="_top">Learning Python</a> was obviously a wise investment.</p></li><li class="listitem"><p>Fredrik Lundh's <a class="ulink" href="http://www.pythonware.com/library/tkinter/introduction/index.htm" target="_top">An Introduction to Tkinter</a> was invaluable in creating the GUI for <span class="application">GaussSum</span>.</p></li><li class="listitem"><p><a class="ulink" href="http://www.digitalhermit.com/linux/ray_tracing/povray/mesh/" target="_top">The digital hermit</a>'s page helped me create the <span class="application">GaussSum</span> logo.</p></li></ul></div></div><div class="navfooter"><hr /><table width="100%" summary="Navigation footer"><tr><td width="40%" align="left"><a accesskey="p" href="pr02.html">Prev</a> </td><td width="20%" align="center"> </td><td width="40%" align="right"> <a accesskey="n" href="ch01.html">Next</a></td></tr><tr><td width="40%" align="left" valign="top">
Citation
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