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Showing 3 open source projects for "xml database"

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  • 1
    This software searches the potential energy surface of small to medium size atomic systems for global minima using quantum ab initio techniques. It performs bond rotations and molecule translations and rotations on a Linux cluster with MPI.
    Downloads: 0 This Week
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    EXTREMA is an interactive program with publication quality graphics and mathematical analysis capabilities. EXTREMA can be GUI and/or command driven. The command language includes conditional branching, looping and subroutine calling constructs.
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    Downloads: 30 This Week
    Last Update:
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  • 3
    ElementViewer visualizes the elements of the PSE in 3d using the Bohr model.
    Downloads: 0 This Week
    Last Update:
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