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@HPMolSim

HPMolSim

High Performance Molecular Simulation, or Happy Molecular Simulation
README.md

HPMolSim

High Performance Molecular Simluations, or HaPpy Molecular Simulations.

We mainly provided a set of numerical tools for molecular simulations.

Pinned Loading

  1. ExTinyMD.jl ExTinyMD.jl Public

    This is a simple MD program.

    Julia 9 1

  2. EwaldSummations.jl EwaldSummations.jl Public

    Implementation of standard Ewald2D and Ewald3D methods.

    Julia 1

  3. SumOfExpVPMR.jl SumOfExpVPMR.jl Public

    An implementation of the VPMR algorithm, approximating decaying kernels by sum of exponentials.

    Julia 1

  4. SoEwald2D.jl SoEwald2D.jl Public

    Sum of Exponentials method accelerated Ewald2D method

    Julia 1

Repositories

Showing 9 of 9 repositories
  • FastSpecSoG.jl Public

    A fast sum-of-Gaussian algorithm for solving the electrostatic interaction in double periodic systems. Article: https://arxiv.org/abs/2412.04595

    HPMolSim/FastSpecSoG.jl’s past year of commit activity
    Julia 2 MIT 0 1 0 Updated Dec 21, 2024
  • ExTinyMD.jl Public

    This is a simple MD program.

    HPMolSim/ExTinyMD.jl’s past year of commit activity
    Julia 9 MIT 1 1 1 Updated Dec 19, 2024
  • ChebParticleMesh.jl Public

    Using Chebyshev polynomials to interpolate/gather particles onto mesh grids.

    HPMolSim/ChebParticleMesh.jl’s past year of commit activity
    Julia 0 MIT 0 0 0 Updated Dec 18, 2024
  • EwaldSummations.jl Public

    Implementation of standard Ewald2D and Ewald3D methods.

    HPMolSim/EwaldSummations.jl’s past year of commit activity
    Julia 1 MIT 0 1 0 Updated Dec 17, 2024
  • BoundaryElementSolver.jl Public

    A solver for the boundary element method.

    HPMolSim/BoundaryElementSolver.jl’s past year of commit activity
    Julia 0 MIT 1 0 1 Updated Nov 18, 2024
  • SumOfExpVPMR.jl Public

    An implementation of the VPMR algorithm, approximating decaying kernels by sum of exponentials.

    HPMolSim/SumOfExpVPMR.jl’s past year of commit activity
    Julia 1 MIT 0 1 0 Updated Oct 7, 2024
  • QuasiEwald.jl Public

    This is a julia package for Quasi Ewald method.

    HPMolSim/QuasiEwald.jl’s past year of commit activity
    Julia 1 MIT 0 0 0 Updated Sep 14, 2024
  • SoEwald2D.jl Public

    Sum of Exponentials method accelerated Ewald2D method

    HPMolSim/SoEwald2D.jl’s past year of commit activity
    Julia 1 MIT 0 0 0 Updated Jun 12, 2024
  • .github Public
    HPMolSim/.github’s past year of commit activity
    0 0 0 0 Updated Jan 7, 2024

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