Search Results for "ab initio software"

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Showing 3 open source projects for "ab initio software"

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  • 1
    This is the software repository of CEqEA, the ab-intra reasoning and modelling environment
    Downloads: 0 This Week
    Last Update:
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  • 2
    Gecko Hamaker

    Gecko Hamaker

    Calculates Hamaker coefficient,interaction free energy,force,torque.

    ...The machine-readable optical property database is available for download and as a web service and makes available the full spectral optical properties of over 150 materials from both ab initio calculations and experimental measurements.
    1 Review
    Downloads: 0 This Week
    Last Update:
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  • 3
    The aim of this project is to be a GUI front-end and visualization tools for the Vienna Ab-Initio Simulation Package, also know as VASP. VASP is density functional software which calculates a variety properties of solid state systems.
    1 Review
    Downloads: 2 This Week
    Last Update:
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