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  1. cmap cmap Public

    C++ implementation of the mapping approach for nonadiabatic dynamics

    C++

  2. RSHtune RSHtune Public

    Python library to allow tuning of range separated hybrid density functional theory functionals in Q-Chem

    Python

  3. reveal_setup reveal_setup Public

    Simple setup script for reveal.js presentations

    Python 1

  4. plot plot Public

    General purpose plotting script

    Python

  5. pymap pymap Public

    Python implementation of mapping approach quantum dynamics

    Python

  6. opt2traj opt2traj Public

    Extract geometries from a QCHEM output file and write to an xyz-trajectory

    Python