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Popular repositories Loading

  1. StretchBend StretchBend Public

    Python code to parse gaussian log and fchk files in order to determine leading contributions to water stretch-bend intensities

    Python 1

  2. Adiabatic-Approximation-Code Adiabatic-Approximation-Code Public

    python code base for managing Gaussian data and calculating progression spectra based off a 2D Adiabatic Approximation of the vibrational motions.

    Python

  3. QOOH QOOH Public

    Object-Oriented python code to complete adiabatic analysis (in 1+1 and 2+1 modes). Specifically catered to TBHP and QOOH.

    Python

  4. PyDVR PyDVR Public

    Forked from McCoyGroup/PyDVR

    A python DVR implementation

    Python

  5. McUtils McUtils Public

    Forked from McCoyGroup/McUtils

    Utility packages and classes

    Python

  6. Psience Psience Public

    Forked from McCoyGroup/Psience

    nerds luv psience

    Python