messages Module

@brief This module provides routines where the output is @details Mostly, this file is needed for simplifying of usage the LibXC interface in different software For GAMESS(US), this file can be expanded for other messages For example, aborting with printing custom message @author Igor S. Gerasimov @date July, 2021 - Initial release -

Todo

Remove it

@params WITH_ABORT - logical key for stopmode; stop will be @params WITHOUT_ABORT - logical key for stopmode; stop will not be


Uses

  • module~~messages~~UsesGraph module~messages messages comm_IOFILE comm_IOFILE module~messages->comm_IOFILE comm_PAR comm_PAR module~messages->comm_PAR module~io_constants io_constants module~messages->module~io_constants module~precision precision module~messages->module~precision iso_fortran_env iso_fortran_env module~precision->iso_fortran_env

Used by

  • module~~messages~~UsedByGraph module~messages messages module~blas_wrap blas_wrap module~blas_wrap->module~messages module~c_interop c_interop module~c_interop->module~messages module~dft dft module~dft->module~messages module~eigen eigen module~eigen->module~messages module~oqp_linalg oqp_linalg module~eigen->module~oqp_linalg module~int1 int1 module~int1->module~messages module~int2_compute int2_compute module~int2_compute->module~messages module~lapack_wrap lapack_wrap module~lapack_wrap->module~messages proc~check_status check_status proc~check_status->module~messages proc~diag_symm_full diag_symm_full proc~diag_symm_full->module~messages proc~diag_symm_packed diag_symm_packed proc~diag_symm_packed->module~messages proc~eijden eijden proc~eijden->module~messages module~mathlib mathlib proc~eijden->module~mathlib proc~electric_moments electric_moments proc~electric_moments->module~messages proc~electric_moments->module~int1 proc~electric_moments->module~mathlib proc~get_ab_initio_density get_ab_initio_density proc~get_ab_initio_density->module~messages proc~get_ab_initio_density->module~mathlib proc~get_ab_initio_orbital get_ab_initio_orbital proc~get_ab_initio_orbital->module~messages proc~get_ab_initio_orbital->module~eigen proc~get_ab_initio_orbital->module~mathlib proc~get_mrsf_transition_density get_mrsf_transition_density proc~get_mrsf_transition_density->module~messages proc~get_spin_square get_spin_square proc~get_spin_square->module~messages proc~get_spin_square->module~mathlib proc~get_states_overlap get_states_overlap proc~get_states_overlap->module~messages module~tdhf_mrsf_lib tdhf_mrsf_lib proc~get_states_overlap->module~tdhf_mrsf_lib proc~get_structures_ao_overlap get_structures_ao_overlap proc~get_structures_ao_overlap->module~messages proc~get_structures_ao_overlap->module~int1 proc~get_td_transition_dipole get_td_transition_dipole proc~get_td_transition_dipole->module~messages proc~get_td_transition_dipole->module~int1 module~tdhf_lib tdhf_lib proc~get_td_transition_dipole->module~tdhf_lib proc~get_td_transition_dipole->module~mathlib proc~get_transition_density get_transition_density proc~get_transition_density->module~messages proc~get_transition_density->module~tdhf_lib proc~get_transition_dipole get_transition_dipole proc~get_transition_dipole->module~messages proc~get_transition_dipole->module~int1 proc~get_transition_dipole->module~mathlib proc~guess_hcore guess_hcore proc~guess_hcore->module~messages module~guess guess proc~guess_hcore->module~guess proc~guess_hcore->module~mathlib proc~guess_huckel guess_huckel proc~guess_huckel->module~messages proc~guess_huckel->module~guess module~huckel huckel proc~guess_huckel->module~huckel proc~guess_huckel->module~mathlib proc~guess_json guess_json proc~guess_json->module~messages proc~guess_json->module~guess proc~hf_energy hf_energy proc~hf_energy->module~messages proc~hf_energy->module~dft proc~huckel_guess huckel_guess proc~huckel_guess->module~messages proc~huckel_guess->module~int1 proc~huckel_guess->module~guess proc~huckel_guess->module~mathlib proc~int1e int1e proc~int1e->module~messages proc~int1e->module~int1 proc~lebedev_get_grid lebedev_get_grid proc~lebedev_get_grid->module~messages proc~libxc_input libxc_input proc~libxc_input->module~messages proc~lowdin lowdin proc~lowdin->module~messages proc~matrix_invsqrt matrix_invsqrt proc~matrix_invsqrt->module~messages proc~matrix_invsqrt->module~eigen proc~mksphar mksphar proc~mksphar->module~messages proc~mrsfcbc mrsfcbc proc~mrsfcbc->module~messages proc~mrsfesum mrsfesum proc~mrsfesum->module~messages proc~mrsfmntoia mrsfmntoia proc~mrsfmntoia->module~messages proc~mrsfsp mrsfsp proc~mrsfsp->module~messages proc~mrsfxvec mrsfxvec proc~mrsfxvec->module~messages proc~mulliken mulliken proc~mulliken->module~messages proc~oqp_apply_basis oqp_apply_basis proc~oqp_apply_basis->module~messages proc~oqp_banner oqp_banner proc~oqp_banner->module~messages proc~oqp_resp_charges oqp_resp_charges proc~oqp_resp_charges->module~messages proc~oqp_resp_charges->module~int1 proc~oqp_resp_charges->module~mathlib proc~oqp_tdhf_z_vector oqp_tdhf_z_vector proc~oqp_tdhf_z_vector->module~messages proc~oqp_tdhf_z_vector->module~dft proc~oqp_tdhf_z_vector->module~tdhf_lib proc~oqp_tdhf_z_vector->module~mathlib module~mod_dft_gridint_fxc mod_dft_gridint_fxc proc~oqp_tdhf_z_vector->module~mod_dft_gridint_fxc module~mod_dft_gridint_gxc mod_dft_gridint_gxc proc~oqp_tdhf_z_vector->module~mod_dft_gridint_gxc module~tdhf_sf_lib tdhf_sf_lib proc~oqp_tdhf_z_vector->module~tdhf_sf_lib proc~orthogonal_transform orthogonal_transform proc~orthogonal_transform->module~messages proc~orthogonal_transform2 orthogonal_transform2 proc~orthogonal_transform2->module~messages proc~orthogonal_transform_sym orthogonal_transform_sym proc~orthogonal_transform_sym->module~messages proc~pcg_optimize pcg_optimize proc~pcg_optimize->module~messages proc~print_eigvec_vals_labeled print_eigvec_vals_labeled proc~print_eigvec_vals_labeled->module~messages proc~run_population_analysis run_population_analysis proc~run_population_analysis->module~messages proc~run_population_analysis->module~mathlib proc~scf_driver scf_driver proc~scf_driver->module~messages proc~scf_driver->module~dft proc~scf_driver->module~int2_compute proc~scf_driver->module~guess proc~scf_driver->module~mathlib proc~schmd schmd proc~schmd->module~messages proc~solve_linear_equations solve_linear_equations proc~solve_linear_equations->module~messages proc~tdhf_1e_grad tdhf_1e_grad proc~tdhf_1e_grad->module~messages proc~tdhf_1e_grad->module~mathlib module~grd1 grd1 proc~tdhf_1e_grad->module~grd1 proc~tdhf_2e_grad tdhf_2e_grad proc~tdhf_2e_grad->module~messages proc~tdhf_energy tdhf_energy proc~tdhf_energy->module~messages proc~tdhf_energy->module~dft proc~tdhf_energy->module~int2_compute proc~tdhf_energy->module~tdhf_lib proc~tdhf_energy->module~mathlib proc~tdhf_energy->module~mod_dft_gridint_fxc proc~tdhf_gradient tdhf_gradient proc~tdhf_gradient->module~messages proc~tdhf_gradient->module~dft proc~tdhf_gradient->module~tdhf_lib proc~tdhf_gradient->module~mathlib proc~tdhf_gradient->module~grd1 module~mod_dft_gridint_tdxc_grad mod_dft_gridint_tdxc_grad proc~tdhf_gradient->module~mod_dft_gridint_tdxc_grad proc~tdhf_mrsf_energy tdhf_mrsf_energy proc~tdhf_mrsf_energy->module~messages proc~tdhf_mrsf_energy->module~int2_compute proc~tdhf_mrsf_energy->module~oqp_linalg proc~tdhf_mrsf_energy->module~tdhf_lib proc~tdhf_mrsf_energy->module~tdhf_mrsf_lib proc~tdhf_mrsf_energy->module~mathlib proc~tdhf_mrsf_energy->module~tdhf_sf_lib proc~tdhf_sf_energy tdhf_sf_energy proc~tdhf_sf_energy->module~messages proc~tdhf_sf_energy->module~int2_compute proc~tdhf_sf_energy->module~oqp_linalg proc~tdhf_sf_energy->module~tdhf_lib proc~tdhf_sf_energy->module~mathlib proc~tdhf_sf_energy->module~tdhf_sf_lib proc~triangular_to_full triangular_to_full proc~triangular_to_full->module~messages module~grd2 grd2 module~grd2->module~int2_compute module~oqp_linalg->module~blas_wrap module~oqp_linalg->module~lapack_wrap module~tdhf_lib->module~int2_compute module~tdhf_lib->module~oqp_linalg module~tdhf_mrsf_lib->module~int2_compute module~tdhf_mrsf_lib->module~oqp_linalg module~tdhf_z_vector_mod tdhf_z_vector_mod module~tdhf_z_vector_mod->module~int2_compute module~tdhf_z_vector_mod->module~oqp_linalg module~tdhf_z_vector_mod->module~tdhf_lib proc~apply_basis_c apply_basis_C proc~apply_basis_c->module~c_interop proc~corresponding_orbital_projection corresponding_orbital_projection proc~corresponding_orbital_projection->module~eigen proc~fock_jk fock_jk proc~fock_jk->module~int2_compute proc~get_state_overlap_c get_state_overlap_C proc~get_state_overlap_c->module~c_interop proc~get_structures_ao_overlap_c get_structures_ao_overlap_C proc~get_structures_ao_overlap_c->module~c_interop proc~guess_hcore_c guess_hcore_C proc~guess_hcore_c->module~c_interop proc~guess_huckel_c guess_huckel_C proc~guess_huckel_c->module~c_interop proc~guess_json_c guess_json_C proc~guess_json_c->module~c_interop proc~hf_gradient hf_gradient proc~hf_gradient->module~dft proc~hf_gradient->module~grd1 proc~oqp_banner_c oqp_banner_C proc~oqp_banner_c->module~c_interop proc~resp_charges_c resp_charges_C proc~resp_charges_c->module~c_interop proc~rpaeig rpaeig proc~rpaeig->module~eigen proc~tdhf_energy_c tdhf_energy_C proc~tdhf_energy_c->module~c_interop proc~tdhf_gradient_c tdhf_gradient_C proc~tdhf_gradient_c->module~c_interop proc~tdhf_mrsf_energy_c tdhf_mrsf_energy_C proc~tdhf_mrsf_energy_c->module~c_interop proc~tdhf_sf_energy_c tdhf_sf_energy_C proc~tdhf_sf_energy_c->module~c_interop proc~tdhf_z_vector_c tdhf_z_vector_C proc~tdhf_z_vector_c->module~c_interop module~guess->module~oqp_linalg module~hf_gradient_mod hf_gradient_mod module~hf_gradient_mod->module~grd2 module~huckel->module~oqp_linalg module~mathlib->module~oqp_linalg module~mod_dft_gridint mod_dft_gridint module~mod_dft_gridint->module~oqp_linalg module~mod_dft_gridint_energy mod_dft_gridint_energy module~mod_dft_gridint_energy->module~oqp_linalg module~mod_dft_gridint_energy->module~mod_dft_gridint module~mod_dft_gridint_fxc->module~oqp_linalg module~mod_dft_gridint_fxc->module~mod_dft_gridint module~mod_dft_gridint_gxc->module~oqp_linalg module~mod_dft_gridint_gxc->module~mod_dft_gridint module~mod_dft_gridint_gxc->module~mod_dft_gridint_fxc module~resp_mod resp_mod module~resp_mod->module~oqp_linalg module~tdhf_gradient_mod tdhf_gradient_mod module~tdhf_gradient_mod->module~grd2 module~tdhf_sf_lib->module~oqp_linalg proc~mo_to_ao mo_to_ao proc~mo_to_ao->module~oqp_linalg proc~mo_to_ao->module~mathlib proc~sfdmat sfdmat proc~sfdmat->module~tdhf_lib proc~sfdmat->module~mathlib module~grd1->module~mathlib module~mod_dft_gridint_grad mod_dft_gridint_grad module~mod_dft_gridint_grad->module~mod_dft_gridint module~mod_dft_gridint_tdxc_grad->module~mod_dft_gridint proc~build_pfon_density build_pfon_density proc~build_pfon_density->module~mathlib proc~derexc_blk derexc_blk proc~derexc_blk->module~mod_dft_gridint proc~dftder dftder proc~dftder->module~mathlib proc~dftder->module~mod_dft_gridint_grad proc~dftexcor dftexcor proc~dftexcor->module~mod_dft_gridint_energy proc~dmatd_blk dmatd_blk proc~dmatd_blk->module~mod_dft_gridint proc~form_rohf_fock form_rohf_fock proc~form_rohf_fock->module~mathlib proc~int2_td_data_t_parallel_stop int2_td_data_t%int2_td_data_t_parallel_stop proc~int2_td_data_t_parallel_stop->module~mathlib proc~symmetrize_matrices symmetrize_matrices proc~symmetrize_matrices->module~mathlib proc~tddft_fxc tddft_fxc proc~tddft_fxc->module~mathlib proc~tddft_fxc->module~mod_dft_gridint proc~tddft_gxc tddft_gxc proc~tddft_gxc->module~mathlib proc~tddft_gxc->module~mod_dft_gridint proc~tddft_xc_gradient tddft_xc_gradient proc~tddft_xc_gradient->module~mod_dft_gridint proc~tdhf_unrelaxed_density tdhf_unrelaxed_density proc~tdhf_unrelaxed_density->module~mathlib proc~utddft_fxc utddft_fxc proc~utddft_fxc->module~mathlib proc~utddft_fxc->module~mod_dft_gridint proc~utddft_xc_gradient utddft_xc_gradient proc~utddft_xc_gradient->module~mod_dft_gridint

Variables

Type Visibility Attributes Name Initial
logical, public, parameter :: WITH_ABORT = .true.
logical, public, parameter :: WITHOUT_ABORT = .false.

Interfaces

public interface show_message

  • 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