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@QuantumDynamicsLab

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Popular repositories Loading

  1. PES2MP-IPython PES2MP-IPython Public

    2D and 4D multipole expansion code (using Legendre polynomials and Spherical Harmonics respectively) for fitting PES into radial coefficients.

    Jupyter Notebook 1

  2. PES2MP-DATAFILES PES2MP-DATAFILES Public

    Input and output files for linear carbonaceous species studied using PES2MP

    Python

  3. Visualize-Atom-Rotor-Collision Visualize-Atom-Rotor-Collision Public

    Visualize Atom-Rigid Rotor (RR) (2D), Atom-Bent RR (3D), RR-RR (4D) and Bent RR-RR (5D) Collision for Molecules

    Python