spirit.parameters package

Parameters

Change the parameters of the various methods, which can be used.

Submodules

• Eigenmode analysis (EMA)
• clear_modes()
• get_n_mode_follow()
• get_n_modes()
• get_sparse()
• set_n_mode_follow()
• set_n_modes()
• set_sparse()
• Geodesic nudged elastic band (GNEB)
• IMAGE_CLIMBING
• IMAGE_FALLING
• IMAGE_NORMAL
• IMAGE_STATIONARY
• get_climbing_falling()
• get_convergence()
• get_equilibrium_delta_Rx()
• get_iterations()
• get_moving_endpoints()
• get_n_energy_interpolations()
• get_path_shortening_constant()
• get_spring_force()
• get_translating_endpoints()
• set_climbing_falling()
• set_convergence()
• set_equilibrium_delta_Rx()
• set_image_type_automatically()
• set_iterations()
• set_moving_endpoints()
• set_output_chain()
• set_output_energies()
• set_output_folder()
• set_output_general()
• set_output_tag()
• set_path_shortening_constant()
• set_spring_force()
• set_translating_endpoints()
• Landau-Lifshitz-Gilbert (LLG)
• get_convergence()
• get_damping()
• get_direct_minimization()
• get_iterations()
• get_non_adiabatic_damping()
• get_stt()
• get_temperature()
• get_timestep()
• set_convergence()
• set_damping()
• set_direct_minimization()
• set_iterations()
• set_non_adiabatic_damping()
• set_output_configuration()
• set_output_energy()
• set_output_folder()
• set_output_general()
• set_output_tag()
• set_stt()
• set_temperature()
• set_timestep()
• Monte Carlo (MC)
• get_iterations()
• get_metropolis_cone()
• get_temperature()
• set_iterations()
• set_metropolis_cone()
• set_output_configuration()
• set_output_energy()
• set_output_folder()
• set_output_general()
• set_output_tag()
• set_temperature()
• Minimum mode following (MMF)
• get_iterations()
• get_n_mode_follow()
• get_n_modes()
• set_iterations()
• set_n_mode_follow()
• set_n_modes()
• set_output_configuration()
• set_output_energy()
• set_output_folder()
• set_output_general()
• set_output_tag()