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Achievement: StarstruckAchievement: YOLOAchievement: Pull Sharkx2Achievement: Public SponsorAchievement: Quickdraw

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  1. snurr-group/gRASPA snurr-group/gRASPA Public

    GPU Monte Carlo Simulation Code with a taste of RASPA

    C++ 70 16

  2. gRASPA_fork gRASPA_fork Public

    Forked from snurr-group/gRASPA

    GPU Monte Carlo Simulation Code with a taste of RASPA

    C++ 2

  3. gRASPA_pybind gRASPA_pybind Public

    pybind extension for gRASPA

    Jupyter Notebook 3 1

  4. snurr-group/GCMC-Gelman-Rubin-Wrapper snurr-group/GCMC-Gelman-Rubin-Wrapper Public

    A wrapper that runs GCMC simulation using RASPA, and calculates the Gelman-Rubin convergence factor after the simulation is done and restart the simulation if needed.

    Python 3 1

  5. snurr-group/energygrid snurr-group/energygrid Public

    R code that performs Machine Learning using histograms generated from energy grids calculated by RASPA.

    R 2 2

  6. Lattice-Classical-Density-Functional-Theory Lattice-Classical-Density-Functional-Theory Public

    CLASSICAL ***NOT QUANTUM*** DFT

    MATLAB 1