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@QMCPACK

QMCPACK

Open-source many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

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  1. qmcpack qmcpack Public

    Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performanc…

    C++ 309 140

  2. qmcpack_workshop_2023 qmcpack_workshop_2023 Public

    QMCPACK Users Workshop 2023

    Python 7 2

  3. pseudopotentiallibrary pseudopotentiallibrary Public

    Repository for PseudopotentialLibrary.org website and database

    PHP 14 15

Repositories

Showing 10 of 16 repositories
  • qmcpack Public

    Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

    QMCPACK/qmcpack’s past year of commit activity
    C++ 309 140 413 (7 issues need help) 15 Updated Dec 6, 2024
  • surrogate_hessian_relax Public
    QMCPACK/surrogate_hessian_relax’s past year of commit activity
    Python 5 BSD-3-Clause 3 0 0 Updated Dec 5, 2024
  • miniqmc Public

    QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experiments

    QMCPACK/miniqmc’s past year of commit activity
    C++ 27 35 22 3 Updated Jul 24, 2024
  • pw2qmcpack Public

    pw2qmcpack converter

    QMCPACK/pw2qmcpack’s past year of commit activity
    Fortran 3 5 0 0 Updated Jul 22, 2024
  • pseudopotentiallibrary Public

    Repository for PseudopotentialLibrary.org website and database

    QMCPACK/pseudopotentiallibrary’s past year of commit activity
    PHP 14 15 22 1 Updated Jul 3, 2024
  • qmc_algorithms Public

    Scripts and supporting material to validate QMC codes

    QMCPACK/qmc_algorithms’s past year of commit activity
    Jupyter Notebook 4 MIT 5 0 0 Updated Apr 17, 2024
  • qmcpack_workshop_2023 Public

    QMCPACK Users Workshop 2023

    QMCPACK/qmcpack_workshop_2023’s past year of commit activity
    Python 7 2 0 0 Updated Mar 10, 2024
  • random_base Public

    test performance of random number generator virtual base class

    QMCPACK/random_base’s past year of commit activity
    C++ 0 0 0 0 Updated Jun 30, 2023
  • Pseudopotential-Status Public

    working notes on pseudopotential development

    QMCPACK/Pseudopotential-Status’s past year of commit activity
    TeX 0 1 0 0 Updated Aug 31, 2022
  • scfrecipes Public

    Challenging inputs and recipes for self-consistent field codes

    QMCPACK/scfrecipes’s past year of commit activity
    Roff 4 1 5 0 Updated Feb 3, 2022
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