print_mo_range Subroutine

public subroutine print_mo_range(basis, infos, mostart, moend)

Uses

  • proc~~print_mo_range~~UsesGraph proc~print_mo_range print_mo_range module~basis_tools basis_tools proc~print_mo_range->module~basis_tools module~io_constants io_constants proc~print_mo_range->module~io_constants module~types types proc~print_mo_range->module~types module~basis_tools->module~io_constants iso_fortran_env iso_fortran_env module~basis_tools->iso_fortran_env module~atomic_structure_m atomic_structure_m module~basis_tools->module~atomic_structure_m module~constants constants module~basis_tools->module~constants module~parallel parallel module~basis_tools->module~parallel module~precision precision module~basis_tools->module~precision module~types->module~basis_tools iso_c_binding iso_c_binding module~types->iso_c_binding module~types->module~atomic_structure_m module~functionals functionals module~types->module~functionals module~types->module~parallel module~types->module~precision tagarray tagarray module~types->tagarray module~atomic_structure_m->iso_c_binding module~constants->module~precision module~functionals->iso_c_binding module~functionals->module~precision xc_f03_lib_m xc_f03_lib_m module~functionals->xc_f03_lib_m module~parallel->iso_c_binding module~parallel->iso_fortran_env module~parallel->module~precision mpi mpi module~parallel->mpi module~precision->iso_fortran_env

@brief Printing out MOs

Arguments

Type IntentOptional Attributes Name
type(basis_set), intent(in) :: basis
type(information), intent(inout) :: infos
integer, intent(in) :: mostart
integer, intent(in) :: moend

Calls

proc~~print_mo_range~~CallsGraph proc~print_mo_range print_mo_range proc~print_eigvec_vals_labeled print_eigvec_vals_labeled proc~print_mo_range->proc~print_eigvec_vals_labeled interface~data_has_tags data_has_tags proc~print_eigvec_vals_labeled->interface~data_has_tags interface~tagarray_get_data tagarray_get_data proc~print_eigvec_vals_labeled->interface~tagarray_get_data none~bf_label basis_set%bf_label proc~print_eigvec_vals_labeled->none~bf_label

Called by

proc~~print_mo_range~~CalledByGraph proc~print_mo_range print_mo_range proc~scf_driver scf_driver proc~scf_driver->proc~print_mo_range proc~hf_energy hf_energy proc~hf_energy->proc~scf_driver

Source Code

  subroutine print_mo_range(basis, infos, mostart, moend)
    use io_constants, only: iw
    use types, only: information
    use basis_tools, only: basis_set
    implicit none

    type(basis_set), intent(in) :: basis
    type(information), intent(inout) :: infos
    integer, intent(in) :: mostart, moend
    integer :: mo0, mo1

    write (iw,fmt="(/&
            &10x, 31('=')/&
            &10x, 'Molecular Orbitals and Energies'/&
            &10x, 31('='))")

    mo0 = max(mostart, 1)
    mo1 = min(moend, basis%nbf)
    call print_eigvec_vals_labeled(basis, infos, mo0, mo1)

  end subroutine print_mo_range