Overview of the software structure

In order to get an idea of the software structure we list some of the main calls performed by the program. In the code HOSPHE (v1.00), there are also deeper level calls that are not listed here. Depending on the input data, some of the calls listed below may or may not be performed, but all are anyway included in the list. We specify the subroutine calls by first writing the name of the module followed by the name of the subroutine.

• hfmain

  Driver program which reads input and starts the run by calling the hf routine.

  • hf

    Main program which contains the iteration loop. Starts by calling routines which initializes different tables.

    • RecoupDK: define_cfk
    • RecoupDK: define_cfd
    • RecoupA: define_cfa
    • RecoupA: define_cfa2
    • Coupling: restrict_densities
    • Coupling: get_cc_restrict
    • Coupling: make_ltab
    • Skyrme: get_skyrme_cc
    • Coupling: read_carlsson_from_file
    • Coupling: cc_perl_to_n3lo
    • Coupling: set_dependent_cc
    • Coupling: cc_n3lo_to_perl
    • grid: set_grid
    • qnotra: set_sps
    • qnotra: qpbase
    • mflib: Read_hf_initial_density_matrix
    • mflib: set_onedet
    • Ho_Derivatives: store_derivatives_of_basis
    • Ho_Derivatives: read_derivatives_of_basis
    • TypeDefinitions: inverse_derivative_densities
    • F2U: Define_F2U
    • mflib: read_density_matrix

    Next follows the main iteration loop.

    • Derivative_densities: sum_derivative_densities
    • hmatrix_Ud: hamiltonian_matrix
    • mflib: diagonalize_hf
    • mflib: hf2ho
    • density_energy: energy_from_densities
    • density_energy: energy_from_densities_densdep
    • density_energy: energy_from_coulomb
    • mflib: hf_energy

    Finally there is some post-processing of the results.

    • density_energy: plot_energy_terms2
    • sorting: sortrx
    • mflib: store_density_matrix