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@NLESC-JCER

NLESC-JCER

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  1. Fortran_Davidson Fortran_Davidson Public

    Davidson eigensolver implemented in Fortran

    Fortran 15 3

  2. EigenCuda EigenCuda Public

    Offload Eigen operations to GPUs

    C++ 17 5

  3. parareal parareal Public

    Educational implementation of Parareal (parallel in time) algorithm in C++

    C++ 2

  4. QMCTorch QMCTorch Public

    Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems

    Python 23 2

  5. cpp2wasm cpp2wasm Public

    Guide to make C++ available as a web application

    C++ 21 6

Repositories

Showing 10 of 31 repositories
  • QMCTorch Public

    Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems

    Python 23 Apache-2.0 2 14 1 Updated Jan 12, 2024
  • fermiflow-qmctorch Public

    Using the FermiFlow implementation of continuous normalizing flows for QMC with orbitals provided by QMCTorch

    Python 0 Apache-2.0 0 0 0 Updated Jul 6, 2023
  • Schrodinet Public

    RBF-NN QMC for potential problem

    Python 2 Apache-2.0 0 0 2 Updated May 8, 2023
  • qmcflow Public

    Implementation of an element-wise normalizing flow to solve the Schrödinger equation with QMC for simple 1D potentials

    Python 0 Apache-2.0 0 12 0 Updated Apr 28, 2023
  • QuantumDraw Public

    Can You Beat Neural Nets at Quantum Mechanics

    HTML 1 Apache-2.0 1 1 10 Updated Jan 7, 2023
  • pyBindTaskForce Public
    0 0 7 0 Updated Sep 8, 2022
  • roquefort Public

    Fortran refactoring tools

    Python 11 Apache-2.0 0 3 0 Updated Jul 20, 2022
  • QUICKLB Public

    quick loadbalancer for hpc applications

    Fortran 0 Apache-2.0 0 5 0 Updated May 31, 2022
  • QMCblip Public
    Python 1 Apache-2.0 0 4 0 Updated May 18, 2022
  • EigenCuda Public

    Offload Eigen operations to GPUs

    C++ 17 Apache-2.0 5 4 2 Updated Feb 3, 2022
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