Acknowledgments
Prev |  | Next

# Acknowledgments

A number of people provided helpful feedback during the development of GaussSum. The following names are listed in no particular order:

- shaloncai reported an error in the data written in UVData.txt.

- Rudy Coquet reported an error in the data written in CDSpectrum.txt.

- Fabrizia Fabrizi de Biani reported an error in the labels used in UVData.txt.

- Tong Glenna reported an error in the major and minor contributions in UVData.txt.

- Christos Garoufalis reported a problem parsing PC-GAMESS files with large basis sets.

- Emmanuel Koukaras reported a bug in the output of DOS_spectrum.txt, as well as a problem plotting the COOP.

- Xinyu Huang reported a bug plotting the PDOS.

- Yafei Dai reported problems parsing Gaussian files with "pop=regular".

- Charles Bradshaw reported problems plotting the vibrational frequencies for GAMESS calculations.

- Juan Sotelo-Campos pointed out that the COOP was only being calculated for alpha orbitals in unrestricted calculations.

- Dr. Carlo Nervi, Torino, who found a bug in EDDM.py

- James Hepburn, Aberdeen, who found that Hyperchem code had been neglected

- Prof Ziyang Liu, Zhejiang University, P.R.China, who found a bug in the output of MO.py for unrestricted calculations

- Fred Coughlin, Princeton, U.S., who found a couple of bugs in my code for CD spectra

- Li Daobing and Jordan Mantha who have packaged GaussSum up for Debian and Ubuntu users

- Neil Berry, Liverpool, who helped to increase GaussSum support for GAMESS files

- 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)

- Avril Coghlan, formerly of Trinity College Dublin, Ireland, thought of the name (it rhymes with awesome!) and suggested various web page improvements

- Elmar Gerwalin, University of Kaiserslautern, Germany, who helped me enormously in getting GaussSum (a) to run in Linux and (b) to work for other people's calculations

- Denis G. Golovanov, Russian Academy of Sciences, Moscow and his non-symmetry-containing logfile provided another challenge to GaussSum

- Guillaume Herlam, Université de Franche-Comté, Besançon, France who requested and tested COOP diagrams

- Roma Oakes, Queens University Belfast, made many useful comments regarding the initial development, especially regarding IR_Raman.py

- Ullrich Siehl, University of Ulm, Germany, who made a number of suggestions that lead to the creation of version 0.9.

In order to create GaussSum, I had to learn a few things. I found the following resources very helpful:

- O'Reilly's The Definitive Guide to DocBook came in handy when writing the documentation.

- O'Reilly's Learning Python was obviously a wise investment.

- Fredrik Lundh's An Introduction to Tkinter was invaluable in creating the GUI for GaussSum.

- The digital hermit's page helped me create the GaussSum logo.

Prev |  | Next
Citation | Home | Chapter 1. Installation