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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. h3o_mobml-nn_potential h3o_mobml-nn_potential Public

    This is the GitHub repo to support the manuscript "Diffusion Monte Carlo Study of the Structure and Spectroscopy of H3O-"

    Python

  2. pyrotations pyrotations Public

    Python

  3. References References Public

    Collection of Markdown tutorials and other documentation

    Mathematica 1 5

  4. PyVibPTn PyVibPTn Public

    A package for doing vibrational perturbation theory

    Python 2

  5. GroundStateApproximation GroundStateApproximation Public

    Forked from rjdirisio/GroundStateApproximation

    GSA for DMC Ground State for Water Clusters

    Python

  6. pyvibdmc pyvibdmc Public

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

    Python 17 4

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