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Showing 1 open source project for "fukui"

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    QTPN

    Visualization, electronic structure and multicomponent calculations

    ...It is capable of dealing with plotting, electronic structure calculation and multicomponent calculations. Current version reads XYZ and deMon output files. Displays image of geometry, atomic orbitals, molecular orbitals, density and Fukui functions in a few different formats. In situ SCF Hartree-Fock calculations available.
    Downloads: 0 This Week
    Last Update:
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