print_pes_quantum_numbers Subroutine

private subroutine print_pes_quantum_numbers(set_type, col_count)

Prints quantum numbers describing radial coupling terms of the PES based on the provided set type and column count.

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: set_type

"Original" or "reduced" - describes the set of quantum numbers
integer(kind=int32), intent(in) :: col_count

number of coupling terms

Calls

proc~~print_pes_quantum_numbers~~CallsGraph proc~print_pes_quantum_numbers print_pes_quantum_numbers proc~integer_to_character integer_to_character proc~print_pes_quantum_numbers->proc~integer_to_character proc~write_message write_message proc~print_pes_quantum_numbers->proc~write_message

Called by

proc~~print_pes_quantum_numbers~~CalledByGraph proc~print_pes_quantum_numbers print_pes_quantum_numbers proc~reduce_radial_coupling_terms reduce_radial_coupling_terms proc~reduce_radial_coupling_terms->proc~print_pes_quantum_numbers program~scattering SCATTERING program~scattering->proc~reduce_radial_coupling_terms

Contents

Variables

Source Code

print_pes_quantum_numbers

Variables

Type Visibility Attributes Name Initial
integer(kind=int32), private :: column_index_

Source Code

      subroutine print_pes_quantum_numbers(set_type, col_count)
         !! Prints quantum numbers describing radial coupling terms of the PES
         !! based on the provided set type and column count.
         !---------------------------------------------------------------------!
         character(len=*), intent(in) :: set_type
            !! "Original" or "reduced" - describes the set of quantum numbers
         integer(int32), intent(in) :: col_count
            !! number of coupling terms
         !---------------------------------------------------------------------!
         integer(int32) :: column_index_
         !---------------------------------------------------------------------!
         if (print_level >= 3) then
            call write_message("*** " // trim(set_type) //                     &
               " number of quantum numbers describing radial coupling terms: " &
               // trim(adjustl(integer_to_character(col_count))) // " ***")
            call write_message("Set of quantum numbers:")
            call write_message("       v1  j1  v1`  j1`")
            select case(set_type)
               case("Original")
                  do column_index_ = 1, col_count
                     write(*,"(5X,2(2X,I2),2(2X,I2))")                         &
                        vib_couplings(column_index_),                          &
                        rot_couplings(column_index_),                          &
                        vib_prime_couplings(column_index_),                    &
                        rot_prime_couplings(column_index_)
                  enddo
               case("Reduced")
                  do column_index_ = 1, col_count
                     write(*,"(5X,2(2X,I2),2(2X,I2))")                         &
                        reduced_vib_couplings(column_index_),                  &
                        reduced_rot_couplings(column_index_),                  &
                        reduced_vib_prime_couplings(column_index_),            &
                        reduced_rot_prime_couplings(column_index_)
                  enddo
            end select
         endif
      end subroutine print_pes_quantum_numbers