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Tag: Car-Parrinello


CPMD is an ab initio electronic structure and molecular dynamics program based on a plane wave/pseudopotential implementation of density functional theory. It performs Car-Parrinello MD simulations, geometry optimizations, Born-Oppenheimer MD, path integral MD, response functions, QM/MM, excited state and electronic property calculations. License: Free Academic License OS: Linux, Mac, and Windows Rate It:   Is […]

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