save_s_matrix_mod Module

This module provides procedures that save selective information to the S-matrix file.


Uses

  • module~~save_s_matrix_mod~~UsesGraph module~save_s_matrix_mod save_s_matrix_mod module~utility_functions_mod utility_functions_mod module~save_s_matrix_mod->module~utility_functions_mod module~global_variables_mod global_variables_mod module~save_s_matrix_mod->module~global_variables_mod iso_fortran_env iso_fortran_env module~save_s_matrix_mod->iso_fortran_env module~utility_functions_mod->iso_fortran_env module~global_variables_mod->iso_fortran_env

Used by

  • module~~save_s_matrix_mod~~UsedByGraph module~save_s_matrix_mod save_s_matrix_mod program~scattering SCATTERING program~scattering->module~save_s_matrix_mod

Contents

Subroutines


Subroutines

public subroutine save_s_matrix_block_info(total_angular_momentum, parity_exponent, number_of_open_channels, channel_indices, channel_l_values, block_wavevectors, s_matrix_real, s_matrix_imag)

save information about current block -- total angular momentum, parity exponent, number of open channels in the current block -- array of indices pointing to the basis arrays, array holding \(l\) values, wavenumbers -- real part of the S-matrix -- imaginary part of the S-matrix

Arguments

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

total angular momentum of the current block
integer(kind=int32), intent(in) :: parity_exponent

parity exponent of the current block
integer(kind=int32), intent(in) :: number_of_open_channels

number of open channels in the block
integer(kind=int32), intent(in) :: channel_indices(number_of_open_channels)

holds the indices pointing to the basis arrays
integer(kind=int32), intent(in) :: channel_l_values(number_of_open_channels)

holds all values of \(l\)
real(kind=dp), intent(in) :: block_wavevectors(number_of_open_channels)

holds all values of wavevectors in the block
real(kind=dp), intent(in) :: s_matrix_real(number_of_open_channels,number_of_open_channels)

real part of the S-matrix
real(kind=dp), intent(in) :: s_matrix_imag(number_of_open_channels,number_of_open_channels)

imaginary part of the S-matrix

public subroutine save_s_matrix_file_header()

save "header" of the S-matrix file: -- label, "itype", number of levels in the basis, reduced mass of the system -- vibrational and rotational quantum numbers -- rovibrational energies -- index pointing to the initial level and the kinetic/total energy

Arguments

None