ergo
output.c File Reference
#include <time.h>
#include <stdarg.h>
#include <stdio.h>
#include <string.h>
#include "output.h"
#include "utilities.h"

Functions

void do_output (int logCategory, int logArea, const char *format,...)
int do_voutput (int logCategory, int logArea, const char *format, va_list a)
void do_output_time (int logCategory, int logArea, const char *s)
void enable_memory_usage_output ()
void output_current_memory_usage (int logArea, const char *contextString)

Variables

static int global_memory_usage_output_flag = 0

Function Documentation

void do_output ( int  logCategory,
int  logArea,
const char *  format,
  ... 
)

References do_voutput().

Referenced by output_basisinfo(), get_simple_primitives(), setup_shells_multi_basis_getcount(), setup_shells_multi_basis(), BasisInfoStruct::addBasisfuncsForMolecule(), BasisInfoStruct::permuteShells(), BasisInfoStruct::normalizeShells(), BasisInfoStruct::get_basis_funcs(), BasisInfoStruct::getSimplePrimitivesAll(), read_basisset_file(), get_CI_energy_and_gradient(), get_FCI_Slater_dets_alpha_beta(), get_eigs(), get_Lowdin_orbitals(), do_lanczos_method_direct(), do_lanczos_method(), do_power_method(), do_CI(), get_F_orbs(), get_dens_from_cmo_zeroT(), get_dens_from_cmo_FermiDiracDistr(), get_dens_from_fock_general(), getAllEigsInterval(), get_dens_from_fock_sparse(), run_comparison_to_simple_purification(), print_box(), BuildRhoTreeBranch(), compute_grid_thread_func(), compute_grid(), do_merge_sort_distrs(), get_product_distrs(), get_density(), hicu_grid_generate(), Stream::addAtom(), Stream::saveThread(), Stream::~Stream(), grid_stream_generate(), dft_lin_respao(), dft_lin_resp_worker(), dft_lin_resp_mt(), SparsePattern::save(), dft_get_xc(), dft_get_xc_worker(), dft_get_xc_mt(), dft_get_uxc(), dft_get_uxc_mt(), XCEvaluator::XCEvaluator(), XCEvaluatorRestricted::getXC(), xcWorker(), getXC_mt(), variable_new(), variable_free(), es_assign_num(), es_assign_str(), es_find_var(), var_get_int_template(), var_get_real_template(), es_add_atom(), es_mol_read_molecule(), es_run(), ErgoE2Evaluator::transform(), es_getexc(), getOperatorParams(), solveForRHS(), es_get_polarisability(), main(), compute_extent_for_all_basis_funcs_2el(), compute_extent_for_all_basis_funcs_1el(), get_maxLimitingFactor(), get_basis_func_pair_list_2el(), get_basis_func_pair_list_1el(), BoxSystem::create_box_system(), BoxSystem::get_items_near_point(), semiFactorial(), BoysFunction_pretabulated(), compute_gamma_or_J_shelldriven(), densfit_compute_gamma(), densfit_compute_alpha_beta_matrix_inverse(), densfit_init(), densfit_compute_c_vector(), densfit_compute_J(), ExponentList::get_list_of_available_exponents(), get_real_solid_harmonic_poly(), setup_basis_func_polys(), IntegralInfo::IntegralInfo(), compute_h_core_matrix_full(), simplePrimTintegral(), compute_T_matrix_sparse(), compute_T_matrix_full(), create_nuclei_mm_tree(), get_list_of_distrs_for_V(), compute_V_linear(), compute_V_matrix_full(), get_JK_contribs_from_2_interacting_boxes(), compute_JK_single_box(), get_J_contribs_from_2_interacting_boxes_2(), add_multipole_jobs_for_2_boxes_branches_recursive(), get_joblists_J_for_two_boxes_recursive(), get_list_of_labeled_distrs_maxLimitingFactor_linear(), get_list_of_labeled_distrs_linear(), get_branch_splitter_info(), create_branches(), execute_joblist_J_std_serial(), execute_joblist_J_std_thread_func(), execute_joblist_J_std_threaded(), sort_list_of_multipole_jobs_fixed_boxIndex(), sort_list_of_multipole_jobs(), execute_joblist_J_fmm_shared(), execute_joblist_J_fmm_serial(), execute_joblist_J_fmm_thread(), compute_J_by_boxes_linear(), compute_J_by_boxes(), get_K_contribs_from_2_interacting_boxes(), create_joblist_exchange_for_two_boxes_recursive(), execute_joblist_K_thread_func(), execute_joblist_K_threaded(), execute_joblist_K_serial(), getDmatLimitMatrixCSRList(), compute_K_by_boxes(), identify_needed_elements_part(), identify_needed_elements(), create_CSR_for_K(), do_2e_integral(), compute_2e_matrix_simple(), compute_J_and_K_integraldriven(), compute_2e_matrix_list_explicit(), compute_2e_matrix_list_difden(), compute_2e_matrix_list(), compute_2e_matrix_exchange(), compute_2e_matrices_exchange(), compute_2e_matrix_coulomb(), erfc_inverse(), get_list_of_labeled_distrs_maxLimitingFactor(), get_list_of_labeled_distrs(), create_box_system_and_reorder_distrs(), get_product_simple_prims(), get_product_simple_primitives(), get_largest_eigenvalue(), compute_multipole_moments(), MMTranslator::MMTranslator(), compute_operator_matrix_full(), compute_operator_matrix_sparse(), organize_distributions(), DIISManager::Initialize(), DIISManagerRestricted::AddIterationToList(), DIISManagerRestricted::GetCombinedFockMatrix(), DIISManagerUnrestricted::AddIterationToList(), DIISManagerUnrestricted::GetCombinedFockMatrices(), SCF::MatOptions::prepare(), SCF_general::SCF_general(), SCF_general::do_SCF_iterations(), SCF_restricted::check_params(), SCF_restricted::get_starting_guess_density(), output_diff_norm_values(), SCF_restricted::get_2e_part_and_energy(), SCF_restricted::get_FDSminusSDF(), SCF_restricted::get_error_measure(), SCF_restricted::add_to_DIIS_list(), SCF_restricted::use_diis_to_get_new_fock_matrix(), SCF_restricted::get_new_density_matrix(), SCF_restricted::write_density_to_file(), SCF_restricted::save_final_potential(), SCF_restricted::output_density_images(), SCF_restricted::report_density_difference(), SCF_restricted::compute_dipole_moment(), SCF_restricted::do_mulliken_pop_stuff(), SCF_restricted::create_mtx_files_F(), SCF_restricted::create_mtx_files_D(), SCF_restricted::create_homo_eigvec_file(), SCF_restricted::create_lumo_eigvec_file(), SCF_restricted::create_gabedit_file(), SCF_restricted::update_subspace_diff(), SCF_restricted::get_non_ort_err_mat_normalized_in_ort_basis(), SCF_restricted::disturb_dens_matrix(), SCF_restricted::disturb_dens_matrix_exact(), SCF_restricted::disturb_fock_matrix(), SCF_unrestricted::SCF_unrestricted(), SCF_unrestricted::get_starting_guess_density(), SCF_unrestricted::add_random_disturbance_to_starting_guess(), SCF_unrestricted::get_2e_part_and_energy(), SCF_unrestricted::get_FDSminusSDF(), SCF_unrestricted::get_error_measure(), SCF_unrestricted::add_to_DIIS_list(), SCF_unrestricted::use_diis_to_get_new_fock_matrix(), SCF_unrestricted::get_new_density_matrix(), SCF_unrestricted::write_density_to_file(), SCF_unrestricted::save_final_potential(), SCF_unrestricted::output_density_images(), SCF_unrestricted::do_spin_flip(), SCF_unrestricted::report_final_results(), SCF_unrestricted::get_S2(), SCF_unrestricted::report_density_difference(), SCF_unrestricted::compute_dipole_moment(), SCF_unrestricted::do_mulliken_pop_stuff(), SCF_unrestricted::create_mtx_files_F(), SCF_unrestricted::create_mtx_files_D(), SCF_unrestricted::create_homo_eigvec_file(), SCF_unrestricted::create_lumo_eigvec_file(), SCF_unrestricted::create_gabedit_file(), do_scan_and_report(), Vxc_worker::ComputeMatrix(), output_sparsity_template(), get_T(), compute_h_core_matrix_simple_dense(), compute_h_core_matrix_sparse(), save_symmetric_matrix(), get_simple_starting_guess_sparse(), get_diag_matrix_from_file(), write_diag_elements_to_file(), get_2e_matrix_and_energy_simple_HF_sparse(), get_2e_matrices_and_energy_simple_HF_sparse_unrestricted(), get_2e_matrix_and_energy_simple_sparse(), get_2e_matrices_and_energy_simple_sparse_unrestricted(), get_2e_matrix_and_energy_sparse(), get_2e_matrices_and_energy_sparse_unrestricted(), get_2e_matrices_and_energy_restricted_open(), compute_FDSminusSDF_sparse(), determine_number_of_electrons_unrestricted(), get_dipole_moment(), do_mulliken_atomic_charges(), do_mulliken_spin_densities(), get_Fock_matrix_in_ort_basis(), do_tdhf_dynamics(), LR::VarVector::load(), LR::VarVector::save(), LR::VarVectorCollection::release(), LR::VarVectorCollection::releaseAll(), LR::VarVector::symorth(), LR::LRSolver::solve(), LR::LRSolver::setE2diag(), LR::SetOfEqSolver::getResidual(), LR::EigenSolver::getResidual(), ddf_get_matrix_storage_size(), ddf_get_matrix_storage_size_sparse(), ddf_store_matrix(), ddf_store_matrix_sparse(), ddf_get_matrix_nvalues_from_storage(), ddf_get_matrix_from_storage(), ddf_get_matrix_from_storage_sparse(), ddf_writeShellListAndDensityMatricesToFile(), ddf_writeShellListAndDensityMatricesToFile_sparse(), ddf_load_density_getSizes(), ddf_read_shells_and_density_matrices(), ddf_read_shells_and_density_matrices_sparse(), ddf_load_density(), ddf_load_density_sparse(), load_density_and_project_full(), compute_R_matrix_sparse(), load_density_and_project_sparse(), compute_1d_gaussian_integral_recursive(), get_no_of_primitives_for_density(), compute_V_sparse(), check_diagonal_elements_of_overlap_matrix(), compute_overlap_matrix_sparse(), compute_operator_matrix_sparse_symm(), compute_J_by_boxes_sparse(), get_CSR_from_symmMatrix(), get_CSR_from_normalMatrix(), compute_K_by_boxes_sparse(), compute_K_by_boxes_sparse_nosymm(), prepareMatrixSizesAndBlocks(), getMatrixPermutation(), write_CSR_matrix(), Molecule::getNuclearRepulsionEnergy(), Molecule::getNuclearElectricFieldEnergy(), readMoleculeFileInMolFormat(), readMoleculeFileInXyzFormat(), ergo_CSR_create(), multiply_matrices_general(), multiply_matrices_general_T_1(), multiply_matrices_general_T_2(), ergo_malloc(), report_memory_status(), do_output_time(), output_current_memory_usage(), solve_linear_equation_system(), and get_memory_usage_by_procfile().

void do_output_time ( int  logCategory,
int  logArea,
const char *  s 
)
void enable_memory_usage_output ( void  )

Variable Documentation