GaussSum is hosted by the fantastic web-resource for opensource programs and programmers at SourceForge. If you are interested in parsing output files in your own programs, or implementing computational chemistry algorithms, check out cclib.
Another program with some similar functionality to GaussSum is QMForge. If you have any problems or questions or want to be informed of new releases, send an email to me at or to the mailing list at information on previous versions of GaussSum, see GaussSum 2.2, GaussSum 2.1, GaussSum 2.0, and GaussSum 1.0. Jaguar is a high-performance ab initio package for both gas and solution phase simulations, with particular strength in treating metal containing systems, making it the most practical quantum mechanical tool for solving real-world problems. If you use GaussSum to obtain results for publication, please use this citation. Various supervised learning models have been used for the prediction and we found that SVM model can provide the highest predicting accuracy (79), as we predict the stock price trend in a long-term basis (44 days).
Gaussian software price for free#
It is available for free under the GNU General Public License (GPL). Our finds can be summarized into three aspects: 1. Han Vos' research group at Dublin City University, Ireland.
GaussSum is written by Noel O'Boyle, and grew from work he carried out during his PhD in Prof. This includes the progress of the SCF cycles, geometry optimisation, UV-Vis/IR/Raman spectra, MO levels, MO contributions and more. GaussSum is a GUI application that can analyse the output of ADF, GAMESS (US), GAMESS-UK, Gaussian, Jaguar and PC GAMESS to extract and calculate useful information. GaussSum: analyse ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS output files
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