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@McCoyGroup

McCoy Group

We study large amplitude molecular motions. Check out our References project for more info.
README.md

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The McCoy Group at the University of Washington studies large-amplitude vibrations using the tools of quantum chemistry. Check out the official group website for more information. We also have a series of references and exercies to help people get started and you can check out our repositories to get a better sense for what we do.

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  1. PyVibPTn PyVibPTn Public

    A package for doing vibrational perturbation theory

    Python

  2. pyvibdmc pyvibdmc Public

    Forked from rjdirisio/pyvibdmc

    A general purpose library to study vibrational problems using diffusion monte carlo

    Python

  3. References References Public

    Collection of Markdown tutorials and other documentation

    Mathematica 1 5

  4. PyDVR PyDVR Public

    A python DVR implementation

    Python 4 4

  5. tensorflow-mpi-container tensorflow-mpi-container Public

    Base container with tensorflow and MPI so we don't need to keep rebuilding MPI

    Dockerfile

  6. McEnv McEnv Public

    Simple docker env for consistent code eval

    Python

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