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Firefly (computer program)

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PC GAMESS is a quantum computational chemistry program for Intel-compatible x86, AMD64/EM64T processors based on GAMESS (US) sources. However it was mostly rewritten (about 60-70% of the code), especially in platform specific part (memory allocation, disk input-output, network), mathematic functions (e.g. matrix operations), quantum chemical methods (Møller-Plesset perturbation theory, Density functional theory). Therefore, it significantly faster than the original GAMESS. The main maintainer of the program is Alex Granovsky from Moscow State University.


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