units_conversion Subroutine

public subroutine units_conversion()

converts all physical quantities to atomic units

Arguments

None

Called by

proc~~units_conversion~~CalledByGraph proc~units_conversion units_conversion program~scattering SCATTERING program~scattering->proc~units_conversion

Contents

Variables

Source Code

units_conversion

Variables

Type Visibility Attributes Name Initial
integer(kind=int32), public :: level_index_1_

Source Code

      subroutine units_conversion
         !! converts all physical quantities to atomic units
         !---------------------------------------------------------------------!
         integer(int32) :: level_index_1_
         !---------------------------------------------------------------------!
         reduced_mass    = reduced_mass * amu_to_au
         energy          = energy / hartree_to_cm
         potential_depth = potential_depth / hartree_to_cm
         !---------------------------------------------------------------------!
         do level_index_1_ = 1, number_of_basis_levels
            internal_energies(level_index_1_) =                                &
               internal_energies(level_index_1_)/hartree_to_cm
         enddo
         !---------------------------------------------------------------------!
         units_converted = .true.
         !---------------------------------------------------------------------!
      end subroutine units_conversion