mcal

• mcal package
  • Subpackages
    • mcal.calculations package
      • Submodules
      • mcal.calculations.hopping_mobility_model module
      • mcal.calculations.rcal module
      • Module contents
    • mcal.utils package
      • Submodules
      • mcal.utils.cif_reader module
      • mcal.utils.gaus_log_reader module
      • mcal.utils.gjf_maker module
      • Module contents
  • Submodules
  • mcal.mcal module
    • OSCTypeError
    • atom_weight()
    • cal_cen_of_weight()
    • cal_distance_between_cen_of_weight()
    • cal_eigenvalue_decomposition()
    • cal_min_distance()
    • cal_moment_of_inertia()
    • check_reorganization_energy_completion()
    • check_transfer_integral_completion()
    • create_reorg_gjf()
    • create_ti_gjf()
    • main()
    • plot_mobility_2d()
    • print_mobility()
    • print_reorg_energy()
    • print_tensor()
    • print_transfer_integral()
    • read_pickle()
  • Module contents