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Popular repositories

  1. helpme helpme Public

    helPME: an efficient library for particle mesh Ewald

    C++ 27 13

  2. MPIDOpenMMPlugin MPIDOpenMMPlugin Public

    OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.

    C++ 6 5

  3. chemvp chemvp Public

    Molecule drawing program

    C++ 2

  4. psi4 psi4 Public

    Forked from psi4/psi4

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

    C++ 1

  5. SphericalGridTreecode SphericalGridTreecode Public

    Pilot implementations of the SGT algorithm for electrostatics

    C++ 1 2

  6. py_cpp_tests py_cpp_tests Public

    Simple code snippets demoing linking Python and C++, using CMake to build.

    Python