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  1. mcmm mcmm Public

    Jupyter Notebook 1

  2. N-body-Treecode N-body-Treecode Public

    A N-body simulation (NlogN cost) based on treecode structure and leapfrog algorithm

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  4. mbpol_cuda_devel mbpol_cuda_devel Public

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  6. legacy_mbpol legacy_mbpol Public

    C++ MBpol implementation used in http://pubs.acs.org/doi/abs/10.1021/ct500079y, new users should use the OpenMM plugin: https://github.com/paesanilab/mbpol_openmm_plugin

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