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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++ 10 2

  2. NWChemEx NWChemEx Public

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

    C++ 7 2

Repositories

Showing 10 of 24 repositories
  • NUX Public

    NWChemEx User Experience (NUX): Tools, functions, etc. to facilitate user workflows

    NWChemEx/NUX’s past year of commit activity
    0 Apache-2.0 0 0 0 Updated Aug 23, 2024
  • TAMM Public

    Tensor Algebra for many-body methods

    NWChemEx/TAMM’s past year of commit activity
    C++ 14 7 1 0 Updated Aug 21, 2024
  • CMakeBuild Public
    NWChemEx/CMakeBuild’s past year of commit activity
    CMake 0 2 0 0 Updated Aug 20, 2024
  • ChemCache Public

    Basis sets, physical constants, geometries, basically any data you can just look up.

    NWChemEx/ChemCache’s past year of commit activity
    Python 0 Apache-2.0 0 2 (1 issue needs help) 0 Updated Aug 19, 2024
  • nwchemex.github.io Public

    Website

    NWChemEx/nwchemex.github.io’s past year of commit activity
    0 Apache-2.0 0 0 0 Updated Aug 14, 2024
  • TensorWrapper Public

    A type-erased wrapper around various tensor backends

    NWChemEx/TensorWrapper’s past year of commit activity
    C++ 0 Apache-2.0 0 25 (3 issues need help) 1 Updated Jul 30, 2024
  • PluginPlayer Public

    GUI for PluginPlay

    NWChemEx/PluginPlayer’s past year of commit activity
    Python 0 Apache-2.0 1 0 1 Updated Jul 29, 2024
  • SCF Public
    NWChemEx/SCF’s past year of commit activity
    C++ 0 Apache-2.0 0 0 0 Updated Jul 16, 2024
  • .github Public

    GitHub Settings for the NWChemEx Organization

    NWChemEx/.github’s past year of commit activity
    Python 1 Apache-2.0 2 33 (2 issues need help) 0 Updated Jul 15, 2024
  • 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
    0 0 1 2 Updated Jul 9, 2024
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