4 projects for "high performance computing" with 2 filters applied:

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  • 1
    SMASH

    SMASH

    Massively parallel software for quantum chemistry calculations

    Scalable Molecular Analysis Solver for High-performance computing systems (SMASH) is massively parallel software for quantum chemistry calculations and released under the Apache 2.0 open source license. It is currently capable of energy, analytical gradient, and geometry optimization calculations of Hartree-Fock theory and Density Functional Theory (DFT), and energy calculations of Second-order Moller-Plesset (MP2) perturbation theory.
    Downloads: 0 This Week
    Last Update:
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  • 2
    Molecular Simulation Grid

    Molecular Simulation Grid

    Provides high performance computing power and state of the art tools

    MoSGrid focuses on the configuration and provision of Grid services for molecular simulations and annotation of the results with metadata and their provision for data mining and knowledge generation. It is based on Liferay technology togethe with gUSE.
    Downloads: 0 This Week
    Last Update:
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  • 3

    psicode

    An open-source quantum chemistry program package

    PSI is an open-source program for computing molecular properties using high-accuracy, ab initio, quantum mechanical models.
    Downloads: 1 This Week
    Last Update:
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  • 4
    cca-forum
    Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
    Downloads: 0 This Week
    Last Update:
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