get_transition_dipole Subroutine

public subroutine get_transition_dipole(basis, dip, mo_a, trden, nstates)

Uses

  • proc~~get_transition_dipole~~UsesGraph proc~get_transition_dipole get_transition_dipole module~basis_tools basis_tools proc~get_transition_dipole->module~basis_tools module~int1 int1 proc~get_transition_dipole->module~int1 module~mathlib mathlib proc~get_transition_dipole->module~mathlib module~messages messages proc~get_transition_dipole->module~messages module~precision precision proc~get_transition_dipole->module~precision module~basis_tools->module~precision 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~io_constants io_constants module~basis_tools->module~io_constants module~parallel parallel module~basis_tools->module~parallel module~int1->module~basis_tools module~int1->module~messages module~int1->iso_fortran_env module~mod_1e_primitives mod_1e_primitives module~int1->module~mod_1e_primitives module~mod_shell_tools mod_shell_tools module~int1->module~mod_shell_tools module~mathlib->module~precision module~oqp_linalg oqp_linalg module~mathlib->module~oqp_linalg module~messages->module~precision comm_IOFILE comm_IOFILE module~messages->comm_IOFILE comm_PAR comm_PAR module~messages->comm_PAR module~messages->module~io_constants module~precision->iso_fortran_env iso_c_binding iso_c_binding module~atomic_structure_m->iso_c_binding module~constants->module~precision module~mod_1e_primitives->iso_fortran_env module~mod_1e_primitives->module~constants module~mod_1e_primitives->module~mod_shell_tools module~mod_gauss_hermite mod_gauss_hermite module~mod_1e_primitives->module~mod_gauss_hermite module~rys rys module~mod_1e_primitives->module~rys module~xyz_order xyz_order module~mod_1e_primitives->module~xyz_order module~mod_shell_tools->module~basis_tools module~mod_shell_tools->module~precision module~blas_wrap blas_wrap module~oqp_linalg->module~blas_wrap module~lapack_wrap lapack_wrap module~oqp_linalg->module~lapack_wrap module~parallel->module~precision module~parallel->iso_fortran_env module~parallel->iso_c_binding mpi mpi module~parallel->mpi module~blas_wrap->module~messages module~blas_wrap->module~precision module~mathlib_types mathlib_types module~blas_wrap->module~mathlib_types module~lapack_wrap->module~messages module~lapack_wrap->module~precision module~lapack_wrap->module~mathlib_types module~mod_gauss_hermite->module~precision module~rys->module~precision module~rys->module~constants module~rys_lut rys_lut module~rys->module~rys_lut

Arguments

Type IntentOptional Attributes Name
type(basis_set), intent(in) :: basis
real(kind=dp), intent(out) :: dip(:,:,:)
real(kind=dp), intent(in) :: mo_a(:,:)
real(kind=dp), intent(in) :: trden(:,:,:,:)
integer, intent(in) :: nstates

Calls

proc~~get_transition_dipole~~CallsGraph proc~get_transition_dipole get_transition_dipole interface~pack_matrix pack_matrix proc~get_transition_dipole->interface~pack_matrix interface~show_message show_message proc~get_transition_dipole->interface~show_message proc~atomic_structure_center atomic_structure%atomic_structure_center proc~get_transition_dipole->proc~atomic_structure_center proc~multipole_integrals multipole_integrals proc~get_transition_dipole->proc~multipole_integrals proc~orthogonal_transform orthogonal_transform proc~get_transition_dipole->proc~orthogonal_transform proc~symmetrize_matrix symmetrize_matrix proc~get_transition_dipole->proc~symmetrize_matrix proc~traceprod_sym_packed traceprod_sym_packed proc~get_transition_dipole->proc~traceprod_sym_packed proc~pack_f90 PACK_F90 interface~pack_matrix->proc~pack_f90 proc~to_upper to_upper proc~atomic_structure_center->proc~to_upper proc~multipole_integrals->interface~show_message interface~bas_norm_matrix bas_norm_matrix proc~multipole_integrals->interface~bas_norm_matrix none~alloc~2 shpair_t%alloc proc~multipole_integrals->none~alloc~2 none~fetch_by_id shell_t%fetch_by_id proc~multipole_integrals->none~fetch_by_id none~shell_pair shpair_t%shell_pair proc~multipole_integrals->none~shell_pair proc~comp_allmult_int1_prim comp_allmult_int1_prim proc~multipole_integrals->proc~comp_allmult_int1_prim proc~print_sym_labeled print_sym_labeled proc~multipole_integrals->proc~print_sym_labeled proc~update_triang_matrix update_triang_matrix proc~multipole_integrals->proc~update_triang_matrix proc~orthogonal_transform->interface~show_message proc~oqp_dgemm_i64 oqp_dgemm_i64 proc~orthogonal_transform->proc~oqp_dgemm_i64 proc~mulquadgausshermite mulQuadGaussHermite proc~comp_allmult_int1_prim->proc~mulquadgausshermite proc~oqp_dgemm_i64->interface~show_message dgemm dgemm proc~oqp_dgemm_i64->dgemm proc~pack_f90->interface~show_message proc~oqp_dtrttp_i64 oqp_dtrttp_i64 proc~pack_f90->proc~oqp_dtrttp_i64 none~bf_label basis_set%bf_label proc~print_sym_labeled->none~bf_label abrt abrt proc~mulquadgausshermite->abrt proc~oqp_dtrttp_i64->interface~show_message dtrttp dtrttp proc~oqp_dtrttp_i64->dtrttp

Called by

proc~~get_transition_dipole~~CalledByGraph proc~get_transition_dipole get_transition_dipole proc~tdhf_mrsf_energy tdhf_mrsf_energy proc~tdhf_mrsf_energy->proc~get_transition_dipole proc~tdhf_sf_energy tdhf_sf_energy proc~tdhf_sf_energy->proc~get_transition_dipole proc~tdhf_mrsf_energy_c tdhf_mrsf_energy_C proc~tdhf_mrsf_energy_c->proc~tdhf_mrsf_energy proc~tdhf_sf_energy_c tdhf_sf_energy_C proc~tdhf_sf_energy_c->proc~tdhf_sf_energy