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Quantum Chemistry


Chemsoft's GUIs for Quantum Chemistry

luceat 2nd July 2010 compose and run a job with Firefly under Windows
Gameix     5th May 2011    compose and run a job with Gamess-US under Linux
gam32/64 14th May 2011 compose and run a job with gamess.32/.64 under native Windows
FDAlin 18th December 2011 compute and visualize atomic orbitals to Z=120
The scripts have a graphical user interface (GUI) for easy input, and offer graphical visualization of results either within the scripts or by (transparently) calling external programs which can be downloaded for free from the Internet.
Gamess-US can be requested from Mark Gordon's group at the Ames Laboratory hosted by Iowa State University. It is normally downloaded as source (for compilation see left) but can be obtained in several precompiled varieties.

PC Gamess/Firefly is derived from Gamess-US but is now independent. It is developed by Alex A. Granovsky, Lomonosov State University, Moscow. This modern program runs on Windows, Linux/Unix, supercomputers; refer to here for request.