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  1. PHOTOX/promdens PHOTOX/promdens Public

    Promoted Density Approach for sampling initial conditions for trajectory-based nonadiabatic photodynamics.

    Python 2

  2. PHOTOX/ABIN PHOTOX/ABIN Public

    Multipurpose ab initio MD program.

    Fortran 11 7

  3. PHOTOX/qdyn PHOTOX/qdyn Public

    Program for real-time or imaginary-time quantum dynamics on a grid in up to 3-dimensions.

    Fortran 1

  4. cqdyn cqdyn Public

    Coefficient based quantum dynamics.

    Python 1

  5. blevine37/IAM-XED blevine37/IAM-XED Public

    Software for computing x-ray and electron diffraction signals in the independent atom model

    Python 1

  6. PHOTOX/QM-hands-on PHOTOX/QM-hands-on Public

    Materials for "Quantum Mechanics in Chemistry: Hands on" lecture at UCT Prague

    TeX