A parallel and modular deformable cell Car-Parrinello code (Q1961789)

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scientific article; zbMATH DE number 1394624
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    A parallel and modular deformable cell Car-Parrinello code
    scientific article; zbMATH DE number 1394624

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      A parallel and modular deformable cell Car-Parrinello code (English)
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      10 April 2000
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      molecular dynamics
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      simulations
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      modular programming
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      modular parallel code
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      Car-Parrinello algorithm
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      fast Fourier transform
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