David Koes edited subsection_textit_Ab_initio_Calcuation__.tex  about 8 years ago

Commit id: b27a038b82aa7db4cc37b97a3123a2d5ff6d5b1e

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J-ICE \cite{Canepa_2010} is a Jmol-based viewer for crystallographic and electronic properties that can be deployed as a Java applet embedded in a web browser.    QMForge provides a graphical user interface for analyzing and visualizing results of quantum chemistry DFT calculations (Gaussian, ADF, GAMESS, Jaguar, NWChem, ORCA, QChem). Analyses include a number of population analyses, Mayer's bond order, charge decomposition, and fragment analysis.  wxMacMolPlt \cite{Bode_1998} is a multi-platform GUI for setting up and visualizing input and output files for the GAMESS quantum chemistry software.