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Showing 2 open source projects for "scf"

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    QTPN

    Visualization, electronic structure 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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  • 2
    ccwatcher

    ccwatcher

    A computational chemistry monitoring, parsing and plotting application

    ccwatcher monitors the progress of computational chemistry calculations during runtime. It has both a GUI and a "Command Line Interface" to which it parses important output and plots SCF energies.
    Downloads: 2 This Week
    Last Update:
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