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        • Adsorption._run_helper

    Adsorption._run_helper¶

    Adsorption._run_helper(size, systems, temp, steps_equi, steps_prod, binding, pb_f, n_print, out, traj)¶

    Run Monte Carlo algorithm.

    Parameters:
    size : integer

    Number of cells

    systems : list

    List of system touples containing number of molecules of each type

    temp : float

    Simulation temperature in Kelvin

    steps_equi : integer

    Number of MC steps in the equilibration phase

    steps_prod : integer

    Number of MC steps in the production phase

    binding : list, optional

    Systems to calculate the binding probability for

    pb_f : list, optional

    Length and frequency of probability calculation list

    n_print : integer, optional

    Number of steps to print output for

    out : list, optional

    Probability output file link and frequency in steps

    traj : list, optional

    Trajectory output file link and frequency in steps

    Returns:
    res_dict : dictionary

    Dictionary of system and corresponding results

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