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  1. MQCT MQCT Public

    Computes inelastic scattering cross sections for rotational and vibrational state-to-state transitions in molecule-molecule collisions using a mixed quantum/classical theory approach. Several level…

    Fortran 6 1

  2. SpectrumSDT SpectrumSDT Public

    Forked from GaidaiIgor/SpectrumSDT

    A parallel Fortran program for calculation of ro-vibrational energy levels and lifetimes of ABA-molecules.

    Fortran

  3. QDE QDE Public

    Forked from GaidaiIgor/qde

    Solves systems of ordinary first-order nonlinear differential equations by reformulating them in terms of Quadratic Unconstrained Binary Optimization (QUBO) problems, which allows to obtain solutio…

    Python

  4. MOLRATES MOLRATES Public

    Database of rate coefficients for molecular state-to-state transitions computed using MQCT code

    Fortran

  5. OZONEData OZONEData Public

    A database of rotational-vibrational states of ozone computed within symmetric-top rotor approximation using SpectrumSDT code.

    MATLAB

  6. ParMESol ParMESol Public

    Parallel master equation solver. This code solves the system of coupled differential equations within the master equation (ME) formalism to describe the kinetics of recombination reaction at the le…

    Fortran