summarize the input parameters for the current run
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| integer(kind=int32), | private | :: | level_index_1_ |
subroutine input_summary
!! summarize the input parameters for the current run
!---------------------------------------------------------------------!
integer(int32) :: level_index_1_
!---------------------------------------------------------------------!
call write_message(" - User-supplied label: " // label)
!---------------------------------------------------------------------!
call write_message(" - Reduced mass: " // &
trim(adjustl(float_to_character(reduced_mass, "(F10.4)"))) // &
" a.m.u.")
!---------------------------------------------------------------------!
call write_message(" - Energy levels in the basis set:")
!---------------------------------------------------------------------!
call write_message(" v j Energy (cm^{-1})")
!---------------------------------------------------------------------!
do level_index_1_ = 1,number_of_basis_levels
write(*,"(I4,4X,I4,16X,F12.4)") vib_levels(level_index_1_), &
rot_levels(level_index_1_), internal_energies(level_index_1_)
enddo
!---------------------------------------------------------------------!
if (jtot_max.ne.999999) then
!------------------------------------------------------------------!
call write_message(" - The equations will be solved " // &
"for total angular momentum J from " // &
trim(adjustl(integer_to_character(jtot_min))) // " to " &
// trim(adjustl(integer_to_character(jtot_max))) // &
" with step "// trim(adjustl(integer_to_character(jtot_step))))
!------------------------------------------------------------------!
else
!------------------------------------------------------------------!
call write_message(" - The loop over JTOT will be performed from " &
// trim(adjustl(integer_to_character(jtot_min))) // &
" with step " // trim(adjustl( &
integer_to_character(jtot_step))) // " until " // &
trim(adjustl(integer_to_character( &
consecutive_blocks_threshold))) // " consecutive")
call write_message(" total angular momentum blocks contribute " &
//"less than")
call write_message(" - " // &
trim(adjustl(float_to_character(elastic_xs_threshold, &
"(E10.4)"))) // " A^2 to the elastic XS")
call write_message(" - " // &
trim(adjustl(float_to_character(inelastic_xs_threshold, &
"(E10.4)"))) // " A^2 to the inelastic XS")
!------------------------------------------------------------------!
endif
!---------------------------------------------------------------------!
if (relative_energy_flag.eq.0) then
!------------------------------------------------------------------!
call write_message(" - The calculations will be performed for the" &
// " total energy equal to " &
// trim(adjustl(float_to_character(total_energy(), "(F10.4)"))) &
//" cm-1")
!------------------------------------------------------------------!
else if(relative_energy_flag.eq.1) then
!------------------------------------------------------------------!
call write_message(" - Relative kinetic energy of the colliding" &
// " system: " // trim(adjustl(float_to_character(energy, &
"(F10.4)"))) // " cm-1")
!------------------------------------------------------------------!
call write_message(" - The kinetic energy is calculated with" // &
" respect to the v = " // trim(adjustl(integer_to_character( &
vib_levels(initial_level)))) // " j = " // &
trim(adjustl(integer_to_character(rot_levels(initial_level)))) &
// " level")
call write_message(" with the internal energy of " // &
trim(adjustl(float_to_character(internal_energies( &
initial_level), "(F10.4)"))) // " cm-1.")
!------------------------------------------------------------------!
call write_message(" - This gives the total energy equal to " // &
trim(adjustl(float_to_character(total_energy(), "(F10.4)"))) // &
" cm-1")
!------------------------------------------------------------------!
endif
!---------------------------------------------------------------------!
if (print_partial_cross_sections) then
call write_message(" - Partial cross sections will be saved into " &
// partial_xs_file_name )
endif
!---------------------------------------------------------------------!
call write_message(" - S-matrix elements will be saved into " // &
s_matrix_file_name )
!---------------------------------------------------------------------!
end subroutine input_summary