total_energy Function

public function total_energy() result(etot_)

returns the total energy

Arguments

None

Return Value real(kind=dp)


Called by

proc~~total_energy~~CalledByGraph proc~total_energy total_energy proc~is_open is_open proc~is_open->proc~total_energy proc~input_summary input_summary proc~input_summary->proc~total_energy proc~print_all_cross_sections print_all_cross_sections proc~print_all_cross_sections->proc~total_energy proc~wavevector_squared_from_energy wavevector_squared_from_energy proc~wavevector_squared_from_energy->proc~total_energy proc~print_cross_sections_for_jtot print_cross_sections_for_jtot proc~print_cross_sections_for_jtot->proc~total_energy proc~print_cross_sections_for_jtot->proc~print_all_cross_sections proc~save_partial_xs_single_block save_partial_xs_single_block proc~save_partial_xs_single_block->proc~total_energy proc~save_open_basis_levels save_open_basis_levels proc~save_open_basis_levels->proc~is_open proc~save_open_basis_levels->proc~wavevector_squared_from_energy proc~print_channels print_channels proc~print_channels->proc~is_open proc~print_channels->proc~wavevector_squared_from_energy proc~prepare_wavevector_array prepare_wavevector_array proc~prepare_wavevector_array->proc~is_open proc~prepare_wavevector_array->proc~wavevector_squared_from_energy proc~calculate_single_pes_matrix_element calculate_single_pes_matrix_element proc~calculate_single_pes_matrix_element->proc~wavevector_squared_from_energy proc~calculate_k_matrix calculate_k_matrix proc~calculate_k_matrix->proc~is_open proc~calculate_k_matrix->proc~wavevector_squared_from_energy proc~calculate_largest_wavevector calculate_largest_wavevector proc~calculate_largest_wavevector->proc~is_open proc~calculate_largest_wavevector->proc~wavevector_squared_from_energy proc~count_open_basis_levels count_open_basis_levels proc~count_open_basis_levels->proc~is_open proc~count_open_channels_in_block count_open_channels_in_block proc~count_open_channels_in_block->proc~is_open proc~read_input_file read_input_file proc~read_input_file->proc~input_summary proc~print_final_cross_sections print_final_cross_sections proc~print_final_cross_sections->proc~print_all_cross_sections program~scattering SCATTERING program~scattering->proc~print_cross_sections_for_jtot program~scattering->proc~save_partial_xs_single_block program~scattering->proc~save_open_basis_levels program~scattering->proc~print_channels program~scattering->proc~prepare_wavevector_array program~scattering->proc~calculate_k_matrix program~scattering->proc~calculate_largest_wavevector program~scattering->proc~count_open_basis_levels program~scattering->proc~count_open_channels_in_block program~scattering->proc~read_input_file program~scattering->proc~print_final_cross_sections proc~calculate_pes_matrix calculate_pes_matrix proc~calculate_pes_matrix->proc~calculate_single_pes_matrix_element proc~initial_setup initial_setup proc~initial_setup->proc~calculate_pes_matrix proc~general_propagation_step general_propagation_step proc~general_propagation_step->proc~calculate_pes_matrix proc~numerov numerov proc~numerov->proc~initial_setup proc~numerov->proc~general_propagation_step proc~handle_final_propagation_steps handle_final_propagation_steps proc~handle_final_propagation_steps->proc~general_propagation_step

Contents

Source Code

total_energy

Source Code

      function total_energy() result(etot_)
         !! returns the total energy
         !---------------------------------------------------------------------!
         real(dp) ::  etot_
         !---------------------------------------------------------------------!
         if (relative_energy_flag.eq.0) then
            etot_ = energy
         else if (relative_energy_flag.eq.1) then
            etot_ = energy+internal_energies(initial_level)
         endif
         !---------------------------------------------------------------------!
      end function total_energy