<?xml version="1.0" encoding="UTF-8" standalone="no"?> <!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd"> <html xmlns="http://www.w3.org/1999/xhtml"><head><meta http-equiv="Content-Type" content="text/html; charset=UTF-8" /><title>Acknowledgments</title><link rel="stylesheet" href="style.css" type="text/css" /><meta name="generator" content="DocBook XSL Stylesheets V1.73.2" /><link rel="start" href="index.html" title="GaussSum Version 2.2" /><link rel="up" href="index.html" title="GaussSum Version 2.2" /><link rel="prev" href="pr02.html" title="Citation" /><link rel="next" href="ch01.html" title="Chapter 1. Installation" /></head><body><div class="navheader"><table width="100%" summary="Navigation header"><tr><th colspan="3" align="center"> Acknowledgments </th></tr><tr><td width="20%" align="left"><a accesskey="p" href="pr02.html">Prev</a> </td><th width="60%" align="center"> </th><td width="20%" align="right"> <a accesskey="n" href="ch01.html">Next</a></td></tr></table><hr /></div><div class="preface" lang="en" xml:lang="en"><div class="titlepage"><div><div><h2 class="title"><a id="id2668594"></a> Acknowledgments </h2></div></div></div><p> 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 type="disc"><li><p>shaloncai reported an error in the data written in UVData.txt.</p></li><li><p>Rudy Coquet reported an error in the data written in CDSpectrum.txt.</p></li><li><p>Fabrizia Fabrizi de Biani reported an error in the labels used in UVData.txt.</p></li><li><p>Tong Glenna reported an error in the major and minor contributions in UVData.txt.</p></li><li><p>Christos Garoufalis reported a problem parsing PC-GAMESS files with large basis sets.</p></li><li><p>Emmanuel Koukaras reported a bug in the output of DOS_spectrum.txt, as well as a problem plotting the COOP.</p></li><li><p>Xinyu Huang reported a bug plotting the PDOS.</p></li><li><p>Yafei Dai reported problems parsing Gaussian files with "pop=regular".</p></li><li><p>Charles Bradshaw reported problems plotting the vibrational frequencies for GAMESS calculations.</p></li><li><p>Juan Sotelo-Campos pointed out that the COOP was only being calculated for alpha orbitals in unrestricted calculations.</p></li><li><p>Dr. Carlo Nervi, Torino, who found a bug in EDDM.py</p></li><li><p>James Hepburn, Aberdeen, who found that Hyperchem code had been neglected</p></li><li><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><p>Fred Coughlin, Princeton, U.S., who found a couple of bugs in my code for CD spectra</p></li><li><p>Li Daobing and Jordan Mantha who have packaged GaussSum up for Debian and Ubuntu users</p></li><li><p>Neil Berry, Liverpool, who helped to increase <span class="application">GaussSum</span> support for GAMESS files</p></li><li><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><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><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><p>Denis G. Golovanov, Russian Academy of Sciences, Moscow and his non-symmetry-containing logfile provided another challenge to GaussSum</p></li><li><p>Guillaume Herlam, Université de Franche-Comté, Besançon, France who requested and tested COOP diagrams</p></li><li><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><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 type="disc"><li><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><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><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><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 </td><td width="20%" align="center"><a accesskey="h" href="index.html">Home</a></td><td width="40%" align="right" valign="top"> Chapter 1. Installation</td></tr></table></div></body></html>
