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@NWChemEx

NWChemEx Community

Dedicated to developing high-performance, modular, scientific software by leveraging NWChemEx's infrastructure.
README.md

About the NWChemEx Community

TODO: Fill out rest of profile/README.md in .github repo!!!

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  1. PluginPlay PluginPlay Public

    An inversion-of-control framework for developing modular scientific software.

    C++ 11 2

  2. NWChemEx NWChemEx Public

    A top-level, user-focused, conglomerate repo for the NWChemEx project.

    C++ 9 2

Repositories

Showing 10 of 25 repositories
  • TensorWrapper Public

    A type-erased wrapper around various tensor backends

    NWChemEx/TensorWrapper’s past year of commit activity
    C++ 0 Apache-2.0 0 26 (3 issues need help) 1 Updated Feb 21, 2025
  • Integrals Public
    NWChemEx/Integrals’s past year of commit activity
    C++ 0 Apache-2.0 0 3 (1 issue needs help) 1 Updated Feb 19, 2025
  • SCF Public
    NWChemEx/SCF’s past year of commit activity
    C++ 1 Apache-2.0 0 0 0 Updated Feb 18, 2025
  • PluginPlay Public

    An inversion-of-control framework for developing modular scientific software.

    NWChemEx/PluginPlay’s past year of commit activity
    C++ 11 Apache-2.0 2 38 (9 issues need help) 2 Updated Feb 17, 2025
  • StructureFinder Public

    Repo for geometry optimization, transition states, etc. Some of this code can be Python based.

    NWChemEx/StructureFinder’s past year of commit activity
    Python 0 0 1 2 Updated Feb 14, 2025
  • Chemist Public

    Library for describing chemical systems

    NWChemEx/Chemist’s past year of commit activity
    C++ 1 Apache-2.0 0 23 0 Updated Feb 6, 2025
  • SimDE Public

    Software development kit for the NWChemEx Community.

    NWChemEx/SimDE’s past year of commit activity
    C++ 0 Apache-2.0 0 5 (1 issue needs help) 2 Updated Feb 6, 2025
  • ParallelZone Public

    You're travelling through another dimension, a dimension not only of CPUs and threads but of GPUs; a journey into a wondrous land whose boundaries are bandwidth limited. That's the signpost up ahead - your next stop, the ParallelZone!

    NWChemEx/ParallelZone’s past year of commit activity
    C++ 0 Apache-2.0 1 11 1 Updated Feb 5, 2025
  • Utilities Public

    Generic, helpful C++ classes

    NWChemEx/Utilities’s past year of commit activity
    C++ 0 Apache-2.0 1 2 0 Updated Feb 5, 2025
  • NWXCMake Public

    CMake modules and toolchains for NWChemEx

    NWChemEx/NWXCMake’s past year of commit activity
    CMake 0 0 0 0 Updated Feb 5, 2025
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