/dports/science/ergo/ergo-3.8/source/densfromf/ |
H A D | densfromf_full.cc | 69 Util::TimeMeter timeMeter; in get_F_orbs() local 82 timeMeter.print(LOG_AREA_DENSFROMF, "sygv diagonalization"); in get_F_orbs() 105 Util::TimeMeter timeMeter; in get_dens_from_cmo_zeroT() local 123 timeMeter.print(LOG_AREA_DENSFROMF, "get_dens_from_cmo_zeroT"); in get_dens_from_cmo_zeroT() 144 Util::TimeMeter timeMeter; in get_dens_from_cmo_FermiDiracDistr() local 204 timeMeter.print(LOG_AREA_DENSFROMF, "get_dens_from_cmo_FermiDiracDistr"); in get_dens_from_cmo_FermiDiracDistr() 235 Util::TimeMeter timeMeter; in get_dens_from_fock_full() local 295 timeMeter.print(LOG_AREA_DENSFROMF, "get_dens_from_fock_full"); in get_dens_from_fock_full()
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/dports/science/ergo/ergo-3.8/source/integrals/ |
H A D | basis_func_pair_list_1el.cc | 63 Util::TimeMeter timeMeter; in get_basis_func_pair_list_1el_for_V() local 175 timeMeter.print(LOG_AREA_INTEGRALS, "get_basis_func_pair_list_1el_for_V"); in get_basis_func_pair_list_1el_for_V() 194 Util::TimeMeter timeMeter; in get_basis_func_pair_list_simple() local 257 timeMeter.print(LOG_AREA_INTEGRALS, "get_basis_func_pair_list_simple"); in get_basis_func_pair_list_simple()
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H A D | basis_func_pair_list.cc | 130 Util::TimeMeter timeMeter; in get_basis_func_pair_list_2el() local 237 timeMeter.print(LOG_AREA_INTEGRALS, "get_basis_func_pair_list_2el"); in get_basis_func_pair_list_2el()
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H A D | integrals_2el_explicit.cc | 212 Util::TimeMeter timeMeter; in compute_J_and_K_integraldriven() local 314 timeMeter.print(LOG_AREA_INTEGRALS, "compute_J_and_K_integraldriven"); in compute_J_and_K_integraldriven()
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H A D | operator_matrix.cc | 141 Util::TimeMeter timeMeter; in compute_operator_matrix_sparse() local 317 timeMeter.print(LOG_AREA_INTEGRALS, "compute_operator_matrix_sparse"); in compute_operator_matrix_sparse()
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H A D | boysfunction.cc | 180 Util::TimeMeter timeMeter; in init() local 211 timeMeter.print(LOG_AREA_INTEGRALS, "BoysFunctionManager::init"); in init()
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H A D | hermite_conversion_prep.cc | 57 Util::TimeMeter timeMeter; in init() local 173 timeMeter.print(LOG_AREA_INTEGRALS, in init()
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H A D | integrals_2el_J.cc | 617 Util::TimeMeter timeMeter; in execute_joblist_J_std_serial() local 647 timeMeter.print(LOG_AREA_INTEGRALS, "execute_joblist_J_std_serial"); in execute_joblist_J_std_serial() 725 Util::TimeMeter timeMeter; in execute_joblist_J_std_threaded() local 821 timeMeter.print(LOG_AREA_INTEGRALS, "execute_joblist_J_std_threaded"); in execute_joblist_J_std_threaded()
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/dports/science/ergo/ergo-3.8/source/scf/ |
H A D | diis_restricted.cc | 61 Util::TimeMeter timeMeter; in AddIterationToList() local 126 timeMeter.print(LOG_AREA_SCF, "DIISManagerRestricted::AddIterationToList"); in AddIterationToList()
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H A D | diis_unrestricted.cc | 65 Util::TimeMeter timeMeter; in AddIterationToList() local 147 timeMeter.print(LOG_AREA_SCF, "DIISManagerUnrestricted::AddIterationToList"); in AddIterationToList()
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H A D | SCF_restricted.cc | 800 Util::TimeMeter timeMeter; in get_new_density_matrix() local 810 timeMeter.print(LOG_AREA_SCF, "in SCF_restricted DensFromFock::create_checkpoint took"); in get_new_density_matrix() 954 Util::TimeMeter timeMeter; in get_expected_values_pos_operator() local 1023 timeMeter.print(LOG_AREA_SCF, "SCF_restricted::output_expected_values_pos_operator"); in get_expected_values_pos_operator() 1029 Util::TimeMeter timeMeter; in output_density_images() local 1060 timeMeter.print(LOG_AREA_SCF, "SCF_restricted::output_density_images"); in output_density_images() 1066 Util::TimeMeter timeMeter; in output_density_images_orbital() local 1116 timeMeter.print(LOG_AREA_SCF, "SCF_restricted::output_density_images_orbital"); in output_density_images_orbital()
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H A D | SCF_unrestricted.cc | 973 Util::TimeMeter timeMeter; in output_density_images() local 1011 timeMeter.print(LOG_AREA_SCF, "SCF_unrestricted::output_density_images"); in output_density_images()
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H A D | scf_utils.cc | 2095 Util::TimeMeter timeMeter; in compute_FDSminusSDF_sparse() local 2194 timeMeter.print(LOG_AREA_SCF, "compute_FDSminusSDF_sparse"); in compute_FDSminusSDF_sparse()
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/dports/science/ergo/ergo-3.8/source/utilities/ |
H A D | integral_matrix_wrappers.cc | 603 Util::TimeMeter timeMeter; in compute_J_by_boxes_sparse() local 684 timeMeter.print(LOG_AREA_UNDEFINED, "compute_J_by_boxes_sparse total"); in compute_J_by_boxes_sparse() 803 Util::TimeMeter timeMeter; in compute_K_by_boxes_sparse() local 858 timeMeter.print(LOG_AREA_UNDEFINED, "compute_K_by_boxes_sparse total"); in compute_K_by_boxes_sparse() 901 Util::TimeMeter timeMeter; in compute_K_by_boxes_sparse_nosymm() local 977 timeMeter.print(LOG_AREA_UNDEFINED, "compute_K_by_boxes_sparse total"); in compute_K_by_boxes_sparse_nosymm()
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H A D | density_projection.cc | 135 Util::TimeMeter timeMeter; in load_density_and_project_sparse() local 372 timeMeter.print(LOG_AREA_UNDEFINED, "load_density_and_project_sparse"); in load_density_and_project_sparse()
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/dports/science/ergo/ergo-3.8/source/electron_dynamics/ |
H A D | tdhf_dynamics.cc | 81 Util::TimeMeter timeMeter; in get_Fock_matrix_in_ort_basis() local 163 timeMeter.print(LOG_AREA_ED, "get_Fock_matrix_in_ort_basis"); in get_Fock_matrix_in_ort_basis() 295 Util::TimeMeter timeMeter; in compute_exp_of_matrix() local 311 timeMeter.print(LOG_AREA_ED, "compute_exp_of_matrix"); in compute_exp_of_matrix()
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