read_potential_data Subroutine

private subroutine read_potential_data(lambda_index_)

Reads the intermolecular distance and radial coupling terms formatted in columns by iterating over number of tabulated ]](R\) points. Immediately converts \(R\) and radial coupling terms to a.u.

Arguments

Type IntentOptional Attributes Name
integer(kind=int32), intent(in) :: lambda_index_

Called by

proc~~read_potential_data~~CalledByGraph proc~read_potential_data read_potential_data proc~read_radial_coupling_terms read_radial_coupling_terms proc~read_radial_coupling_terms->proc~read_potential_data program~scattering SCATTERING program~scattering->proc~read_radial_coupling_terms

Contents

Variables

Source Code

read_potential_data

Variables

Type Visibility Attributes Name Initial
integer(kind=int32), private :: column_index_
integer(kind=int32), private :: r_index_
real(kind=dp), private :: read_line(total_number_of_coupling_terms+1)

Source Code

      subroutine read_potential_data(lambda_index_)
         !! Reads the intermolecular distance and radial coupling terms formatted
         !! in columns by iterating over number of tabulated ]](R\\) points.
         !! Immediately converts \\(R\\) and radial coupling terms to a.u.
         !---------------------------------------------------------------------!
         integer(int32), intent(in) :: lambda_index_
         !---------------------------------------------------------------------!
         integer(int32) :: r_index_, column_index_
         real(dp) :: read_line(total_number_of_coupling_terms + 1)
         !---------------------------------------------------------------------!
         do r_index_ = 1, number_of_r_points
            read(coupling_terms_file_unit, *) (read_line(column_index_),       &
               column_index_ = 1, total_number_of_coupling_terms + 1)
            r_grid(r_index_) = read_line(1) * radial_term_distance_converter
            do column_index_ = 1, total_number_of_coupling_terms
               tabulated_coupling_terms(r_index_, lambda_index_, column_index_)&
                  = read_line(column_index_ + 1) * radial_term_energy_converter
            enddo
         enddo
         !---------------------------------------------------------------------!
      end subroutine read_potential_data