show_message Interface

public interface show_message

Called by

interface~~show_message~~CalledByGraph interface~show_message show_message none~add_functional functional_t%add_functional none~add_functional->interface~show_message none~calc_evfxc functional_t%calc_evfxc none~calc_evfxc->interface~show_message none~calc_evxc functional_t%calc_evxc none~calc_evxc->interface~show_message none~calc_xc functional_t%calc_xc none~calc_xc->interface~show_message none~run_generic int2_compute_t%run_generic none~run_generic->interface~show_message proc~ints_exchange ints_exchange none~run_generic->proc~ints_exchange none~run~6 int2_compute_t%run none~run~6->interface~show_message none~run~6->none~run_generic none~run_cam int2_compute_t%run_cam none~run~6->none~run_cam proc~check_status check_status proc~check_status->interface~show_message proc~corresponding_orbital_projection corresponding_orbital_projection proc~corresponding_orbital_projection->interface~show_message proc~diag_symm_full diag_symm_full proc~corresponding_orbital_projection->proc~diag_symm_full proc~oqp_dgemm_i64 oqp_dgemm_i64 proc~corresponding_orbital_projection->proc~oqp_dgemm_i64 proc~oqp_dswap_i64 oqp_dswap_i64 proc~corresponding_orbital_projection->proc~oqp_dswap_i64 proc~oqp_dsyrk_i64 oqp_dsyrk_i64 proc~corresponding_orbital_projection->proc~oqp_dsyrk_i64 proc~schmd schmd proc~corresponding_orbital_projection->proc~schmd proc~dft_initialize dft_initialize proc~dft_initialize->interface~show_message proc~libxc_input libxc_input proc~dft_initialize->proc~libxc_input none~add_grid sorted_grid_t%add_grid proc~dft_initialize->none~add_grid proc~dftder dftder proc~dftder->interface~show_message proc~dftder->proc~check_status interface~unpack_matrix unpack_matrix proc~dftder->interface~unpack_matrix proc~derexc_blk derexc_blk proc~dftder->proc~derexc_blk proc~diag_symm_full->interface~show_message proc~diag_symm_packed diag_symm_packed proc~diag_symm_packed->interface~show_message proc~electric_moments electric_moments proc~electric_moments->interface~show_message proc~electric_moments->proc~check_status proc~multipole_integrals multipole_integrals proc~electric_moments->proc~multipole_integrals proc~triangular_to_full triangular_to_full proc~electric_moments->proc~triangular_to_full proc~get_ab_initio_density get_ab_initio_density proc~get_ab_initio_density->interface~show_message proc~orb_to_dens orb_to_dens proc~get_ab_initio_density->proc~orb_to_dens proc~get_ab_initio_orbital get_ab_initio_orbital proc~get_ab_initio_orbital->interface~show_message proc~get_ab_initio_orbital->proc~diag_symm_full proc~get_ab_initio_orbital->proc~oqp_dgemm_i64 proc~orthogonal_transform orthogonal_transform proc~get_ab_initio_orbital->proc~orthogonal_transform proc~get_ab_initio_orbital->interface~unpack_matrix proc~get_mrsf_transition_density get_mrsf_transition_density proc~get_mrsf_transition_density->interface~show_message proc~get_spin_square get_spin_square proc~get_spin_square->interface~show_message proc~get_spin_square->proc~oqp_dgemm_i64 interface~pack_matrix pack_matrix proc~get_spin_square->interface~pack_matrix proc~get_spin_square->interface~unpack_matrix proc~get_states_overlap get_states_overlap proc~get_states_overlap->interface~show_message proc~mrsfxvec mrsfxvec proc~get_states_overlap->proc~mrsfxvec proc~get_td_transition_dipole get_td_transition_dipole proc~get_td_transition_dipole->interface~show_message proc~get_td_transition_dipole->proc~multipole_integrals proc~get_td_transition_dipole->proc~orthogonal_transform proc~get_td_transition_dipole->interface~pack_matrix proc~get_transition_density get_transition_density proc~get_transition_density->interface~show_message proc~get_transition_dipole get_transition_dipole proc~get_transition_dipole->interface~show_message proc~get_transition_dipole->proc~multipole_integrals proc~get_transition_dipole->proc~orthogonal_transform proc~get_transition_dipole->interface~pack_matrix proc~grd2_driver grd2_driver proc~grd2_driver->interface~show_message proc~grd2_driver->proc~ints_exchange proc~guess_hcore guess_hcore proc~guess_hcore->interface~show_message proc~guess_hcore->proc~get_ab_initio_density proc~guess_hcore->proc~get_ab_initio_orbital proc~matrix_invsqrt matrix_invsqrt proc~guess_hcore->proc~matrix_invsqrt proc~hf_gradient hf_gradient proc~hf_gradient->interface~show_message proc~hf_gradient->proc~check_status proc~hf_gradient->proc~dft_initialize proc~hf_gradient->proc~dftder proc~hf_gradient->proc~grd2_driver proc~eijden eijden proc~hf_gradient->proc~eijden proc~grad_ee_kinetic grad_ee_kinetic proc~hf_gradient->proc~grad_ee_kinetic proc~grad_ee_overlap grad_ee_overlap proc~hf_gradient->proc~grad_ee_overlap proc~grad_en_hellman_feynman grad_en_hellman_feynman proc~hf_gradient->proc~grad_en_hellman_feynman proc~grad_en_pulay grad_en_pulay proc~hf_gradient->proc~grad_en_pulay proc~huckel_guess huckel_guess proc~huckel_guess->interface~show_message proc~huckel_guess->proc~corresponding_orbital_projection proc~huckel_guess->proc~diag_symm_full proc~huckel_guess->proc~matrix_invsqrt proc~mksphar mksphar proc~huckel_guess->proc~mksphar proc~huckel_guess->proc~oqp_dgemm_i64 proc~oqp_dgeqrf_i64 oqp_dgeqrf_i64 proc~huckel_guess->proc~oqp_dgeqrf_i64 proc~oqp_dormqr_i64 oqp_dormqr_i64 proc~huckel_guess->proc~oqp_dormqr_i64 proc~oqp_dsymm_i64 oqp_dsymm_i64 proc~huckel_guess->proc~oqp_dsymm_i64 proc~orthogonal_transform_sym orthogonal_transform_sym proc~huckel_guess->proc~orthogonal_transform_sym proc~huckel_guess->interface~unpack_matrix proc~ints_exchange->interface~show_message proc~lebedev_get_grid lebedev_get_grid proc~lebedev_get_grid->interface~show_message proc~libxc_input->interface~show_message proc~libxc_input->none~add_functional proc~lowdin lowdin proc~lowdin->interface~show_message proc~run_population_analysis run_population_analysis proc~lowdin->proc~run_population_analysis proc~matrix_invsqrt->interface~show_message proc~matrix_invsqrt->proc~diag_symm_packed proc~mksphar->interface~show_message proc~mrsfcbc mrsfcbc proc~mrsfcbc->interface~show_message proc~mrsfcbc->proc~oqp_dgemm_i64 proc~mrsfesum mrsfesum proc~mrsfesum->interface~show_message proc~mrsfesum->proc~oqp_dgemm_i64 proc~mrsfmntoia mrsfmntoia proc~mrsfmntoia->interface~show_message proc~mrsfmntoia->proc~oqp_dgemm_i64 proc~oqp_dgemv_i64 oqp_dgemv_i64 proc~mrsfmntoia->proc~oqp_dgemv_i64 proc~mrsfsp mrsfsp proc~mrsfsp->interface~show_message proc~mrsfsp->proc~oqp_dgemm_i64 proc~mrsfxvec->interface~show_message proc~mulliken mulliken proc~mulliken->interface~show_message proc~mulliken->proc~run_population_analysis proc~multipole_integrals->interface~show_message proc~oqp_caxpy_i64 oqp_caxpy_i64 proc~oqp_caxpy_i64->interface~show_message proc~oqp_ccopy_i64 oqp_ccopy_i64 proc~oqp_ccopy_i64->interface~show_message proc~oqp_cdotc_i64 oqp_cdotc_i64 proc~oqp_cdotc_i64->interface~show_message proc~oqp_cdotu_i64 oqp_cdotu_i64 proc~oqp_cdotu_i64->interface~show_message proc~oqp_cgbmv_i64 oqp_cgbmv_i64 proc~oqp_cgbmv_i64->interface~show_message proc~oqp_cgemm_i64 oqp_cgemm_i64 proc~oqp_cgemm_i64->interface~show_message proc~oqp_cgemv_i64 oqp_cgemv_i64 proc~oqp_cgemv_i64->interface~show_message proc~oqp_cgerc_i64 oqp_cgerc_i64 proc~oqp_cgerc_i64->interface~show_message proc~oqp_cgeru_i64 oqp_cgeru_i64 proc~oqp_cgeru_i64->interface~show_message proc~oqp_chbmv_i64 oqp_chbmv_i64 proc~oqp_chbmv_i64->interface~show_message proc~oqp_chemm_i64 oqp_chemm_i64 proc~oqp_chemm_i64->interface~show_message proc~oqp_chemv_i64 oqp_chemv_i64 proc~oqp_chemv_i64->interface~show_message proc~oqp_cher2_i64 oqp_cher2_i64 proc~oqp_cher2_i64->interface~show_message proc~oqp_cher2k_i64 oqp_cher2k_i64 proc~oqp_cher2k_i64->interface~show_message proc~oqp_cher_i64 oqp_cher_i64 proc~oqp_cher_i64->interface~show_message proc~oqp_cherk_i64 oqp_cherk_i64 proc~oqp_cherk_i64->interface~show_message proc~oqp_chpmv_i64 oqp_chpmv_i64 proc~oqp_chpmv_i64->interface~show_message proc~oqp_chpr2_i64 oqp_chpr2_i64 proc~oqp_chpr2_i64->interface~show_message proc~oqp_chpr_i64 oqp_chpr_i64 proc~oqp_chpr_i64->interface~show_message proc~oqp_cscal_i64 oqp_cscal_i64 proc~oqp_cscal_i64->interface~show_message proc~oqp_csrot_i64 oqp_csrot_i64 proc~oqp_csrot_i64->interface~show_message proc~oqp_csscal_i64 oqp_csscal_i64 proc~oqp_csscal_i64->interface~show_message proc~oqp_cswap_i64 oqp_cswap_i64 proc~oqp_cswap_i64->interface~show_message proc~oqp_csymm_i64 oqp_csymm_i64 proc~oqp_csymm_i64->interface~show_message proc~oqp_csyr2k_i64 oqp_csyr2k_i64 proc~oqp_csyr2k_i64->interface~show_message proc~oqp_csyrk_i64 oqp_csyrk_i64 proc~oqp_csyrk_i64->interface~show_message proc~oqp_ctbmv_i64 oqp_ctbmv_i64 proc~oqp_ctbmv_i64->interface~show_message proc~oqp_ctbsv_i64 oqp_ctbsv_i64 proc~oqp_ctbsv_i64->interface~show_message proc~oqp_ctpmv_i64 oqp_ctpmv_i64 proc~oqp_ctpmv_i64->interface~show_message proc~oqp_ctpsv_i64 oqp_ctpsv_i64 proc~oqp_ctpsv_i64->interface~show_message proc~oqp_ctrmm_i64 oqp_ctrmm_i64 proc~oqp_ctrmm_i64->interface~show_message proc~oqp_ctrmv_i64 oqp_ctrmv_i64 proc~oqp_ctrmv_i64->interface~show_message proc~oqp_ctrsm_i64 oqp_ctrsm_i64 proc~oqp_ctrsm_i64->interface~show_message proc~oqp_ctrsv_i64 oqp_ctrsv_i64 proc~oqp_ctrsv_i64->interface~show_message proc~oqp_dasum_i64 oqp_dasum_i64 proc~oqp_dasum_i64->interface~show_message proc~oqp_daxpy_i64 oqp_daxpy_i64 proc~oqp_daxpy_i64->interface~show_message proc~oqp_dcopy_i64 oqp_dcopy_i64 proc~oqp_dcopy_i64->interface~show_message proc~oqp_ddot_i64 oqp_ddot_i64 proc~oqp_ddot_i64->interface~show_message proc~oqp_dgbmv_i64 oqp_dgbmv_i64 proc~oqp_dgbmv_i64->interface~show_message proc~oqp_dgemm_i64->interface~show_message proc~oqp_dgemv_i64->interface~show_message proc~oqp_dgeqrf_i64->interface~show_message proc~oqp_dger_i64 oqp_dger_i64 proc~oqp_dger_i64->interface~show_message proc~oqp_dgesv_i64 oqp_dgesv_i64 proc~oqp_dgesv_i64->interface~show_message proc~oqp_dgetri_i64 oqp_dgetri_i64 proc~oqp_dgetri_i64->interface~show_message proc~oqp_dgglse_i64 oqp_dgglse_i64 proc~oqp_dgglse_i64->interface~show_message proc~oqp_dnrm2_i64 oqp_dnrm2_i64 proc~oqp_dnrm2_i64->interface~show_message proc~oqp_dorgqr_i64 oqp_dorgqr_i64 proc~oqp_dorgqr_i64->interface~show_message proc~oqp_dormqr_i64->interface~show_message proc~oqp_drot_i64 oqp_drot_i64 proc~oqp_drot_i64->interface~show_message proc~oqp_drotm_i64 oqp_drotm_i64 proc~oqp_drotm_i64->interface~show_message proc~oqp_dsbmv_i64 oqp_dsbmv_i64 proc~oqp_dsbmv_i64->interface~show_message proc~oqp_dscal_i64 oqp_dscal_i64 proc~oqp_dscal_i64->interface~show_message proc~oqp_dsdot_i64 oqp_dsdot_i64 proc~oqp_dsdot_i64->interface~show_message proc~oqp_dspmv_i64 oqp_dspmv_i64 proc~oqp_dspmv_i64->interface~show_message proc~oqp_dspr2_i64 oqp_dspr2_i64 proc~oqp_dspr2_i64->interface~show_message proc~oqp_dspr_i64 oqp_dspr_i64 proc~oqp_dspr_i64->interface~show_message proc~oqp_dswap_i64->interface~show_message proc~oqp_dsymm_i64->interface~show_message proc~oqp_dsymv_i64 oqp_dsymv_i64 proc~oqp_dsymv_i64->interface~show_message proc~oqp_dsyr2_i64 oqp_dsyr2_i64 proc~oqp_dsyr2_i64->interface~show_message proc~oqp_dsyr2k_i64 oqp_dsyr2k_i64 proc~oqp_dsyr2k_i64->interface~show_message proc~oqp_dsyr_i64 oqp_dsyr_i64 proc~oqp_dsyr_i64->interface~show_message proc~oqp_dsyrk_i64->interface~show_message proc~oqp_dsysv_i64 oqp_dsysv_i64 proc~oqp_dsysv_i64->interface~show_message proc~oqp_dtbmv_i64 oqp_dtbmv_i64 proc~oqp_dtbmv_i64->interface~show_message proc~oqp_dtbsv_i64 oqp_dtbsv_i64 proc~oqp_dtbsv_i64->interface~show_message proc~oqp_dtpmv_i64 oqp_dtpmv_i64 proc~oqp_dtpmv_i64->interface~show_message proc~oqp_dtpsv_i64 oqp_dtpsv_i64 proc~oqp_dtpsv_i64->interface~show_message proc~oqp_dtpttr_i64 oqp_dtpttr_i64 proc~oqp_dtpttr_i64->interface~show_message proc~oqp_dtrmm_i64 oqp_dtrmm_i64 proc~oqp_dtrmm_i64->interface~show_message proc~oqp_dtrmv_i64 oqp_dtrmv_i64 proc~oqp_dtrmv_i64->interface~show_message proc~oqp_dtrsm_i64 oqp_dtrsm_i64 proc~oqp_dtrsm_i64->interface~show_message proc~oqp_dtrsv_i64 oqp_dtrsv_i64 proc~oqp_dtrsv_i64->interface~show_message proc~oqp_dtrttp_i64 oqp_dtrttp_i64 proc~oqp_dtrttp_i64->interface~show_message proc~oqp_dzasum_i64 oqp_dzasum_i64 proc~oqp_dzasum_i64->interface~show_message proc~oqp_dznrm2_i64 oqp_dznrm2_i64 proc~oqp_dznrm2_i64->interface~show_message proc~oqp_icamax_i64 oqp_icamax_i64 proc~oqp_icamax_i64->interface~show_message proc~oqp_idamax_i64 oqp_idamax_i64 proc~oqp_idamax_i64->interface~show_message proc~oqp_isamax_i64 oqp_isamax_i64 proc~oqp_isamax_i64->interface~show_message proc~oqp_izamax_i64 oqp_izamax_i64 proc~oqp_izamax_i64->interface~show_message proc~oqp_resp_charges oqp_resp_charges proc~oqp_resp_charges->interface~show_message proc~oqp_resp_charges->proc~lebedev_get_grid proc~oqp_resp_charges->proc~oqp_dgemm_i64 proc~oqp_resp_charges->proc~oqp_dgemv_i64 proc~oqp_resp_charges->proc~oqp_dgesv_i64 proc~oqp_sasum_i64 oqp_sasum_i64 proc~oqp_sasum_i64->interface~show_message proc~oqp_saxpy_i64 oqp_saxpy_i64 proc~oqp_saxpy_i64->interface~show_message proc~oqp_scasum_i64 oqp_scasum_i64 proc~oqp_scasum_i64->interface~show_message proc~oqp_scnrm2_i64 oqp_scnrm2_i64 proc~oqp_scnrm2_i64->interface~show_message proc~oqp_scopy_i64 oqp_scopy_i64 proc~oqp_scopy_i64->interface~show_message proc~oqp_sdot_i64 oqp_sdot_i64 proc~oqp_sdot_i64->interface~show_message proc~oqp_sdsdot_i64 oqp_sdsdot_i64 proc~oqp_sdsdot_i64->interface~show_message proc~oqp_sgbmv_i64 oqp_sgbmv_i64 proc~oqp_sgbmv_i64->interface~show_message proc~oqp_sgemm_i64 oqp_sgemm_i64 proc~oqp_sgemm_i64->interface~show_message proc~oqp_sgemv_i64 oqp_sgemv_i64 proc~oqp_sgemv_i64->interface~show_message proc~oqp_sger_i64 oqp_sger_i64 proc~oqp_sger_i64->interface~show_message proc~oqp_snrm2_i64 oqp_snrm2_i64 proc~oqp_snrm2_i64->interface~show_message proc~oqp_srot_i64 oqp_srot_i64 proc~oqp_srot_i64->interface~show_message proc~oqp_srotm_i64 oqp_srotm_i64 proc~oqp_srotm_i64->interface~show_message proc~oqp_ssbmv_i64 oqp_ssbmv_i64 proc~oqp_ssbmv_i64->interface~show_message proc~oqp_sscal_i64 oqp_sscal_i64 proc~oqp_sscal_i64->interface~show_message proc~oqp_sspmv_i64 oqp_sspmv_i64 proc~oqp_sspmv_i64->interface~show_message proc~oqp_sspr2_i64 oqp_sspr2_i64 proc~oqp_sspr2_i64->interface~show_message proc~oqp_sspr_i64 oqp_sspr_i64 proc~oqp_sspr_i64->interface~show_message proc~oqp_sswap_i64 oqp_sswap_i64 proc~oqp_sswap_i64->interface~show_message proc~oqp_ssymm_i64 oqp_ssymm_i64 proc~oqp_ssymm_i64->interface~show_message proc~oqp_ssymv_i64 oqp_ssymv_i64 proc~oqp_ssymv_i64->interface~show_message proc~oqp_ssyr2_i64 oqp_ssyr2_i64 proc~oqp_ssyr2_i64->interface~show_message proc~oqp_ssyr2k_i64 oqp_ssyr2k_i64 proc~oqp_ssyr2k_i64->interface~show_message proc~oqp_ssyr_i64 oqp_ssyr_i64 proc~oqp_ssyr_i64->interface~show_message proc~oqp_ssyrk_i64 oqp_ssyrk_i64 proc~oqp_ssyrk_i64->interface~show_message proc~oqp_stbmv_i64 oqp_stbmv_i64 proc~oqp_stbmv_i64->interface~show_message proc~oqp_stbsv_i64 oqp_stbsv_i64 proc~oqp_stbsv_i64->interface~show_message proc~oqp_stpmv_i64 oqp_stpmv_i64 proc~oqp_stpmv_i64->interface~show_message proc~oqp_stpsv_i64 oqp_stpsv_i64 proc~oqp_stpsv_i64->interface~show_message proc~oqp_strmm_i64 oqp_strmm_i64 proc~oqp_strmm_i64->interface~show_message proc~oqp_strmv_i64 oqp_strmv_i64 proc~oqp_strmv_i64->interface~show_message proc~oqp_strsm_i64 oqp_strsm_i64 proc~oqp_strsm_i64->interface~show_message proc~oqp_strsv_i64 oqp_strsv_i64 proc~oqp_strsv_i64->interface~show_message proc~oqp_tdhf_z_vector oqp_tdhf_z_vector proc~oqp_tdhf_z_vector->interface~show_message proc~oqp_tdhf_z_vector->none~run~6 proc~oqp_tdhf_z_vector->proc~dft_initialize proc~oqp_tdhf_z_vector->proc~oqp_dgemm_i64 proc~oqp_tdhf_z_vector->proc~oqp_dsyr2k_i64 proc~oqp_tdhf_z_vector->proc~orthogonal_transform proc~oqp_tdhf_z_vector->proc~triangular_to_full proc~oqp_tdhf_z_vector->interface~pack_matrix proc~oqp_tdhf_z_vector->interface~unpack_matrix none~set_screening~2 int2_compute_t%set_screening proc~oqp_tdhf_z_vector->none~set_screening~2 proc~tddft_fxc tddft_fxc proc~oqp_tdhf_z_vector->proc~tddft_fxc proc~tddft_gxc tddft_gxc proc~oqp_tdhf_z_vector->proc~tddft_gxc proc~tdhf_unrelaxed_density tdhf_unrelaxed_density proc~oqp_tdhf_z_vector->proc~tdhf_unrelaxed_density proc~oqp_xerbla_i64 oqp_xerbla_i64 proc~oqp_xerbla_i64->interface~show_message proc~oqp_zaxpy_i64 oqp_zaxpy_i64 proc~oqp_zaxpy_i64->interface~show_message proc~oqp_zcopy_i64 oqp_zcopy_i64 proc~oqp_zcopy_i64->interface~show_message proc~oqp_zdotc_i64 oqp_zdotc_i64 proc~oqp_zdotc_i64->interface~show_message proc~oqp_zdotu_i64 oqp_zdotu_i64 proc~oqp_zdotu_i64->interface~show_message proc~oqp_zdrot_i64 oqp_zdrot_i64 proc~oqp_zdrot_i64->interface~show_message proc~oqp_zdscal_i64 oqp_zdscal_i64 proc~oqp_zdscal_i64->interface~show_message proc~oqp_zgbmv_i64 oqp_zgbmv_i64 proc~oqp_zgbmv_i64->interface~show_message proc~oqp_zgemm_i64 oqp_zgemm_i64 proc~oqp_zgemm_i64->interface~show_message proc~oqp_zgemv_i64 oqp_zgemv_i64 proc~oqp_zgemv_i64->interface~show_message proc~oqp_zgerc_i64 oqp_zgerc_i64 proc~oqp_zgerc_i64->interface~show_message proc~oqp_zgeru_i64 oqp_zgeru_i64 proc~oqp_zgeru_i64->interface~show_message proc~oqp_zhbmv_i64 oqp_zhbmv_i64 proc~oqp_zhbmv_i64->interface~show_message proc~oqp_zhemm_i64 oqp_zhemm_i64 proc~oqp_zhemm_i64->interface~show_message proc~oqp_zhemv_i64 oqp_zhemv_i64 proc~oqp_zhemv_i64->interface~show_message proc~oqp_zher2_i64 oqp_zher2_i64 proc~oqp_zher2_i64->interface~show_message proc~oqp_zher2k_i64 oqp_zher2k_i64 proc~oqp_zher2k_i64->interface~show_message proc~oqp_zher_i64 oqp_zher_i64 proc~oqp_zher_i64->interface~show_message proc~oqp_zherk_i64 oqp_zherk_i64 proc~oqp_zherk_i64->interface~show_message proc~oqp_zhpmv_i64 oqp_zhpmv_i64 proc~oqp_zhpmv_i64->interface~show_message proc~oqp_zhpr2_i64 oqp_zhpr2_i64 proc~oqp_zhpr2_i64->interface~show_message proc~oqp_zhpr_i64 oqp_zhpr_i64 proc~oqp_zhpr_i64->interface~show_message proc~oqp_zscal_i64 oqp_zscal_i64 proc~oqp_zscal_i64->interface~show_message proc~oqp_zswap_i64 oqp_zswap_i64 proc~oqp_zswap_i64->interface~show_message proc~oqp_zsymm_i64 oqp_zsymm_i64 proc~oqp_zsymm_i64->interface~show_message proc~oqp_zsyr2k_i64 oqp_zsyr2k_i64 proc~oqp_zsyr2k_i64->interface~show_message proc~oqp_zsyrk_i64 oqp_zsyrk_i64 proc~oqp_zsyrk_i64->interface~show_message proc~oqp_ztbmv_i64 oqp_ztbmv_i64 proc~oqp_ztbmv_i64->interface~show_message proc~oqp_ztbsv_i64 oqp_ztbsv_i64 proc~oqp_ztbsv_i64->interface~show_message proc~oqp_ztpmv_i64 oqp_ztpmv_i64 proc~oqp_ztpmv_i64->interface~show_message proc~oqp_ztpsv_i64 oqp_ztpsv_i64 proc~oqp_ztpsv_i64->interface~show_message proc~oqp_ztrmm_i64 oqp_ztrmm_i64 proc~oqp_ztrmm_i64->interface~show_message proc~oqp_ztrmv_i64 oqp_ztrmv_i64 proc~oqp_ztrmv_i64->interface~show_message proc~oqp_ztrsm_i64 oqp_ztrsm_i64 proc~oqp_ztrsm_i64->interface~show_message proc~oqp_ztrsv_i64 oqp_ztrsv_i64 proc~oqp_ztrsv_i64->interface~show_message proc~orthogonal_transform->interface~show_message proc~orthogonal_transform->proc~oqp_dgemm_i64 proc~orthogonal_transform2 orthogonal_transform2 proc~orthogonal_transform2->interface~show_message proc~orthogonal_transform2->proc~oqp_dgemm_i64 proc~orthogonal_transform_sym->interface~show_message proc~orthogonal_transform_sym->proc~oqp_dgemm_i64 proc~orthogonal_transform_sym->proc~oqp_dsymm_i64 proc~orthogonal_transform_sym->proc~oqp_dtpttr_i64 proc~orthogonal_transform_sym->proc~oqp_dtrttp_i64 proc~pack_f90 PACK_F90 proc~pack_f90->interface~show_message proc~pack_f90->proc~oqp_dtrttp_i64 proc~pcg_optimize pcg_optimize proc~pcg_optimize->interface~show_message proc~run_population_analysis->interface~show_message proc~run_population_analysis->proc~diag_symm_packed proc~run_population_analysis->proc~oqp_dgemm_i64 proc~run_population_analysis->interface~unpack_matrix proc~scf_driver scf_driver proc~scf_driver->interface~show_message proc~scf_driver->none~run~6 proc~scf_driver->proc~get_ab_initio_density proc~scf_driver->proc~get_ab_initio_orbital proc~scf_driver->proc~matrix_invsqrt proc~scf_driver->interface~unpack_matrix none~add_data scf_conv%add_data proc~scf_driver->none~add_data proc~scf_driver->none~set_screening~2 proc~form_rohf_fock form_rohf_fock proc~scf_driver->proc~form_rohf_fock proc~mo_to_ao mo_to_ao proc~scf_driver->proc~mo_to_ao proc~build_pfon_density build_pfon_density proc~scf_driver->proc~build_pfon_density proc~dftexcor dftexcor proc~scf_driver->proc~dftexcor proc~schmd->interface~show_message proc~schmd->proc~oqp_dgeqrf_i64 proc~schmd->proc~oqp_dorgqr_i64 proc~solve_linear_equations solve_linear_equations proc~solve_linear_equations->interface~show_message proc~solve_linear_equations->proc~oqp_dsysv_i64 proc~tdhf_1e_grad tdhf_1e_grad proc~tdhf_1e_grad->interface~show_message proc~tdhf_1e_grad->proc~eijden proc~tdhf_1e_grad->proc~grad_ee_kinetic proc~tdhf_1e_grad->proc~grad_ee_overlap proc~tdhf_1e_grad->proc~grad_en_hellman_feynman proc~tdhf_1e_grad->proc~grad_en_pulay proc~tdhf_2e_grad tdhf_2e_grad proc~tdhf_2e_grad->interface~show_message proc~tdhf_2e_grad->proc~grd2_driver proc~tdhf_energy tdhf_energy proc~tdhf_energy->interface~show_message proc~tdhf_energy->none~run~6 proc~tdhf_energy->proc~dft_initialize proc~tdhf_energy->proc~get_td_transition_dipole proc~tdhf_energy->proc~orthogonal_transform proc~tdhf_energy->none~set_screening~2 proc~mntoia mntoia proc~tdhf_energy->proc~mntoia proc~rpaeig rpaeig proc~tdhf_energy->proc~rpaeig proc~rpaexpndv rpaexpndv proc~tdhf_energy->proc~rpaexpndv proc~rparedms rparedms proc~tdhf_energy->proc~rparedms proc~tdhf_energy->proc~tddft_fxc proc~tdhf_gradient tdhf_gradient proc~tdhf_gradient->interface~show_message proc~tdhf_gradient->proc~dft_initialize proc~tdhf_gradient->proc~orthogonal_transform proc~tdhf_gradient->proc~tdhf_1e_grad proc~tdhf_gradient->proc~tdhf_2e_grad proc~tdhf_gradient->interface~unpack_matrix proc~tddft_xc_gradient tddft_xc_gradient proc~tdhf_gradient->proc~tddft_xc_gradient proc~tdhf_mrsf_energy tdhf_mrsf_energy proc~tdhf_mrsf_energy->interface~show_message proc~tdhf_mrsf_energy->none~run~6 proc~tdhf_mrsf_energy->proc~get_mrsf_transition_density proc~tdhf_mrsf_energy->proc~get_transition_density proc~tdhf_mrsf_energy->proc~get_transition_dipole proc~tdhf_mrsf_energy->proc~mrsfcbc proc~tdhf_mrsf_energy->proc~mrsfesum proc~tdhf_mrsf_energy->proc~mrsfmntoia proc~tdhf_mrsf_energy->proc~oqp_dgemm_i64 proc~tdhf_mrsf_energy->proc~orthogonal_transform proc~tdhf_mrsf_energy->proc~orthogonal_transform_sym proc~tdhf_mrsf_energy->interface~unpack_matrix proc~tdhf_mrsf_energy->none~set_screening~2 proc~tdhf_mrsf_energy->proc~mntoia proc~tdhf_mrsf_energy->proc~rpaeig proc~tdhf_mrsf_energy->proc~rparedms proc~sfresvec sfresvec proc~tdhf_mrsf_energy->proc~sfresvec proc~trfrmb trfrmb proc~tdhf_mrsf_energy->proc~trfrmb proc~tdhf_sf_energy tdhf_sf_energy proc~tdhf_sf_energy->interface~show_message proc~tdhf_sf_energy->none~run~6 proc~tdhf_sf_energy->proc~get_spin_square proc~tdhf_sf_energy->proc~get_transition_density proc~tdhf_sf_energy->proc~get_transition_dipole proc~tdhf_sf_energy->proc~oqp_dgemm_i64 proc~tdhf_sf_energy->proc~orthogonal_transform_sym proc~tdhf_sf_energy->interface~unpack_matrix proc~tdhf_sf_energy->none~set_screening~2 proc~tdhf_sf_energy->proc~mntoia proc~tdhf_sf_energy->proc~rpaeig proc~tdhf_sf_energy->proc~rparedms proc~sfdmat sfdmat proc~tdhf_sf_energy->proc~sfdmat proc~tdhf_sf_energy->proc~sfresvec proc~tdhf_sf_energy->proc~trfrmb proc~triangular_to_full->interface~show_message proc~unpack_f90 UNPACK_F90 proc~unpack_f90->interface~show_message proc~unpack_f90->proc~oqp_dtpttr_i64 interface~pack_matrix->proc~pack_f90 interface~unpack_matrix->proc~unpack_f90 none~add_data->proc~oqp_dgemm_i64 none~add_data->proc~oqp_dsymm_i64 none~add_data->interface~pack_matrix none~add_data->interface~unpack_matrix none~add_grid->proc~lebedev_get_grid none~run_cam->none~run_generic none~set_screening~2->proc~ints_exchange proc~compute~2 xc_libxc_t%compute proc~compute~2->none~calc_evfxc proc~compute~2->none~calc_evxc proc~compute~2->none~calc_xc proc~eijden->proc~orthogonal_transform_sym proc~eijden->interface~unpack_matrix proc~fock_jk fock_jk proc~fock_jk->none~run~6 proc~fock_jk->none~set_screening~2 proc~form_rohf_fock->proc~orthogonal_transform2 proc~form_rohf_fock->proc~orthogonal_transform_sym proc~form_rohf_fock->proc~triangular_to_full proc~form_rohf_fock->interface~pack_matrix proc~form_rohf_fock->interface~unpack_matrix proc~get_state_overlap_c get_state_overlap_C proc~get_state_overlap_c->proc~get_states_overlap proc~guess_hcore_c guess_hcore_C proc~guess_hcore_c->proc~guess_hcore proc~guess_huckel guess_huckel proc~guess_huckel->proc~get_ab_initio_density proc~guess_huckel->proc~huckel_guess proc~guess_json guess_json proc~guess_json->proc~get_ab_initio_density proc~hf_energy hf_energy proc~hf_energy->proc~check_status proc~hf_energy->proc~dft_initialize proc~hf_energy->proc~scf_driver proc~mntoia->proc~oqp_dgemm_i64 proc~mo_to_ao->proc~oqp_dgemm_i64 proc~mo_to_ao->proc~oqp_dsymm_i64 proc~mo_to_ao->interface~pack_matrix proc~mo_to_ao->interface~unpack_matrix proc~mo_tran_gemm_ mo_tran_gemm_ proc~mo_tran_gemm_->proc~oqp_dgemm_i64 proc~mo_tran_symm_ mo_tran_symm_ proc~mo_tran_symm_->proc~oqp_dsymm_i64 proc~mrsfqrorhs mrsfqrorhs proc~mrsfqrorhs->proc~oqp_dgemm_i64 proc~orb_to_dens->proc~oqp_dsyr2k_i64 proc~orb_to_dens->interface~pack_matrix proc~resp_charges_c resp_charges_C proc~resp_charges_c->proc~oqp_resp_charges proc~rpaeig->proc~diag_symm_packed proc~rpaeig->proc~oqp_dgemm_i64 proc~rpaeig->proc~oqp_dtrttp_i64 proc~rpaexpndv->proc~oqp_dgemm_i64 proc~rparedms->proc~oqp_dgemm_i64 proc~sfdmat->proc~oqp_dgemm_i64 proc~sfdmat->proc~orthogonal_transform proc~sfdmat->interface~pack_matrix proc~sfresvec->proc~oqp_dgemm_i64 proc~sfrorhs sfrorhs proc~sfrorhs->proc~oqp_dgemm_i64 proc~sfrowcal sfrowcal proc~sfrowcal->proc~oqp_dgemm_i64 proc~tddft_fxc->proc~triangular_to_full proc~run_xc run_xc proc~tddft_fxc->proc~run_xc proc~tddft_gxc->proc~triangular_to_full proc~tddft_gxc->proc~run_xc proc~tdhf_energy_c tdhf_energy_C proc~tdhf_energy_c->proc~tdhf_energy proc~tdhf_gradient_c tdhf_gradient_C proc~tdhf_gradient_c->proc~tdhf_gradient 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 proc~tdhf_unrelaxed_density->proc~oqp_dgemm_i64 proc~tdhf_unrelaxed_density->proc~orthogonal_transform proc~tdhf_unrelaxed_density->interface~pack_matrix proc~tdhf_z_vector_c tdhf_z_vector_C proc~tdhf_z_vector_c->proc~oqp_tdhf_z_vector proc~trfrmb->proc~oqp_dgemm_i64 proc~utddft_fxc utddft_fxc proc~utddft_fxc->proc~triangular_to_full proc~utddft_fxc->proc~run_xc none~compmos xc_engine_t%compMOs none~compmos->proc~mo_tran_gemm_ none~compmos->proc~mo_tran_symm_ none~compxc xc_engine_t%compXC none~compxc->proc~compute~2 none~compxc->none~compmos proc~build_pfon_density->interface~pack_matrix proc~grad_ee_kinetic->interface~unpack_matrix proc~grad_ee_overlap->interface~unpack_matrix proc~grad_en_hellman_feynman->interface~unpack_matrix proc~grad_en_pulay->interface~unpack_matrix proc~guess_huckel_c guess_huckel_C proc~guess_huckel_c->proc~guess_huckel proc~guess_json_c guess_json_C proc~guess_json_c->proc~guess_json proc~run_xc->none~compxc proc~derexc_blk->proc~run_xc proc~dmatd_blk dmatd_blk proc~dmatd_blk->proc~run_xc proc~tddft_xc_gradient->proc~run_xc proc~utddft_xc_gradient utddft_xc_gradient proc~utddft_xc_gradient->proc~run_xc proc~dftexcor->proc~dmatd_blk

Module Procedures

private subroutine show_message_text(message, stopmode)

@brief Print simple message @author Igor S. Gerasimov @date July, 2021 - Initial release - @params message (in) - message for displaying @params stopmode (in, optional) - is aborting required?

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: message
logical, intent(in), optional :: stopmode

private subroutine show_message_with_integer(format, message, value, stopmode)

@brief Print simple message @details write( ,format) message, value @author Igor S. Gerasimov @date July, 2021 - Initial release - @params format (in) - format for displaying @params message (in) - message for displaying @params value (in) - value for displaying @params stopmode (in, optional) - is aborting required?

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: format
character(len=*), intent(in) :: message
integer, intent(in) :: value
logical, intent(in), optional :: stopmode

private subroutine show_message_with_double(format, message, value, stopmode)

@brief Print simple message @details write( ,format) message, value @author Igor S. Gerasimov @date July, 2021 - Initial release - @params format (in) - format for displaying @params message (in) - message for displaying @params value (in) - value for displaying @params stopmode (in, optional) - is aborting required?

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: format
character(len=*), intent(in) :: message
real(kind=dp), intent(in) :: value
logical, intent(in), optional :: stopmode

private subroutine show_message_with_double_and_text(format, message1, value, message2, stopmode)

@brief Print simple message @details write( ,format) message1, value, message2 @author Igor S. Gerasimov @date July, 2021 - Initial release - @params format (in) - format for displaying @params message1 (in) - message for displaying @params value (in) - value for displaying @params message2 (in) - message for displaying @params stopmode (in, optional) - is aborting required?

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: format
character(len=*), intent(in) :: message1
real(kind=dp), intent(in) :: value
character(len=*), intent(in) :: message2
logical, intent(in), optional :: stopmode

private subroutine show_message_with_integer_and_text(format, message1, value, message2, stopmode)

@brief Print simple message @details write( ,format) message1, value, message2 @author Igor S. Gerasimov @date July, 2021 - Initial release - @params format (in) - format for displaying @params message1 (in) - message for displaying @params value (in) - value for displaying @params message2 (in) - message for displaying @params stopmode (in, optional) - is aborting required?

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: format
character(len=*), intent(in) :: message1
integer, intent(in) :: value
character(len=*), intent(in) :: message2
logical, intent(in), optional :: stopmode

private subroutine show_message_with_keys(message, format, keys, stopmode)

@brief Print simple message @details write( ,'(A)') message write( ,format) keys @author Igor S. Gerasimov @date July, 2021 - Initial release - @params message (in) - message for displaying @params format (in) - format for displaying @params keys (in) - keys for displaying @params stopmode (in, optional) - is aborting required?

Arguments

Type IntentOptional Attributes Name
character(len=*), intent(in) :: message
character(len=*), intent(in) :: format
character(len=*), intent(in), optional :: keys(:)
logical, intent(in), optional :: stopmode