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/dports/science/ergo/ergo-3.8/source/densfromf/
H A Ddensfromf_full.cc78 do_output(LOG_CAT_INFO, LOG_AREA_DENSFROMF, "calling LAPACK routine sygv, n = %i", n); in get_F_orbs()
85 do_output(LOG_CAT_ERROR, LOG_AREA_DENSFROMF, "error in sygv"); in get_F_orbs()
104 do_output(LOG_CAT_INFO, LOG_AREA_DENSFROMF, "entering get_dens_from_cmo_zeroT, n = %i", n); in get_dens_from_cmo_zeroT()
116 …do_output(LOG_CAT_INFO, LOG_AREA_DENSFROMF, "get_dens_from_cmo finished, E_LUMO-E_HOMO = %12.8f Ha… in get_dens_from_cmo_zeroT()
119 do_output(LOG_CAT_INFO, LOG_AREA_DENSFROMF, "E_HOMO = %22.11f", (double)E_HOMO); in get_dens_from_cmo_zeroT()
120 do_output(LOG_CAT_INFO, LOG_AREA_DENSFROMF, "E_LUMO = %22.11f", (double)E_LUMO); in get_dens_from_cmo_zeroT()
121 do_output(LOG_CAT_INFO, LOG_AREA_DENSFROMF, "E_min = %22.11f", (double)E_min ); in get_dens_from_cmo_zeroT()
122 do_output(LOG_CAT_INFO, LOG_AREA_DENSFROMF, "E_max = %22.11f", (double)E_max ); in get_dens_from_cmo_zeroT()
143 …do_output(LOG_CAT_INFO, LOG_AREA_DENSFROMF, "entering get_dens_from_cmo_FermiDiracDistr, n = %i, n… in get_dens_from_cmo_FermiDiracDistr()
186 …do_output(LOG_CAT_INFO, LOG_AREA_DENSFROMF, "In get_dens_from_cmo_FermiDiracDistr, final trace = %… in get_dens_from_cmo_FermiDiracDistr()
[all …]
/dports/science/ergo/ergo-3.8/source/integrals/
H A Dbox_system.cc87 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system: (currBoxIndex >= maxNoOf… in create_box_system()
123 … do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system: (xdiffList[kk] < 0)."); in create_box_system()
124 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system: kk = %d, xdiffList[kk] =… in create_box_system()
142 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system: (numberOfLevels >= MAX_N… in create_box_system()
143 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system: numberOfLevels = %d, MAX… in create_box_system()
185 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "ERROR: (boxList[i].noOfItems == 0)"); in create_box_system()
243 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "ERROR: (resultBoxList[i].noOfItems == 0)"); in create_box_system()
288 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system: (currBoxIndex >= maxNoOf… in create_box_system()
306 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system: (currLevelNoOfBoxes_2 !=… in create_box_system()
323 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, in create_box_system()
[all …]
H A Dintegrals_2el_explicit.cc117 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_product_simple_primitives\n"); in do_2e_integral_general()
130 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_product_simple_primitives\n"); in do_2e_integral_general()
174 …do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "entering compute_2e_matrix HF_WEIGHT=%f", (double)hf_… in compute_2e_matrix_simple()
196 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "compute_2e_matrix ending OK\n"); in compute_2e_matrix_simple()
214 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "entering compute_J_and_K_integraldriven"); in compute_J_and_K_integraldriven()
313 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "compute_J_and_K_integraldriven ending OK"); in compute_J_and_K_integraldriven()
315 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "number of unique integrals computed: %i", count); in compute_J_and_K_integraldriven()
334 …do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "compute_2e_matrix_list_explicit: (noOfMatrices != 1),… in compute_2e_matrix_list_explicit()
346 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_J_and_K_integraldriven"); in compute_2e_matrix_list_explicit()
H A Dbasis_func_pair_list_1el.cc61 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "get_basis_func_pair_list_1el_for_V, n = %6i", n); in get_basis_func_pair_list_1el_for_V()
72 … do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_extent_for_all_basis_funcs_1el"); in get_basis_func_pair_list_1el_for_V()
97 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system."); in get_basis_func_pair_list_1el_for_V()
139 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_product_simple_primitives"); in get_basis_func_pair_list_1el_for_V()
160 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_basis_func_pair_list: (count >= resultM… in get_basis_func_pair_list_1el_for_V()
192 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "get_basis_func_pair_list_simple, n = %6i", n); in get_basis_func_pair_list_simple()
218 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system."); in get_basis_func_pair_list_simple()
247 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_basis_func_pair_list_simple: (count >= … in get_basis_func_pair_list_simple()
H A Dintegrals_2el_boxed.cc222 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_related_integrals"); in get_JK_contribs_from_2_interacting_boxes()
387 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, in compute_JK_single_box()
394 … do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_JK_single_box: (threshold <= 0)"); in compute_JK_single_box()
411 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, in compute_JK_single_box()
426 …do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "getting distrCount done, distrCount = %12i", distrCou… in compute_JK_single_box()
430 …do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "compute_JK_single_box: (distrCount == 0), skipping."); in compute_JK_single_box()
437 … do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_JK_single_box: (distrCount <= 0)"); in compute_JK_single_box()
483 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "distrCount = %i", distrCount); in compute_JK_single_box()
522 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in organize_distributions"); in compute_JK_single_box()
581 … do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_JK_contribs_from_2_interacting_boxes"); in compute_JK_single_box()
[all …]
H A Doperator_matrix.cc84 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_operator_matrix_sparse"); in compute_operator_matrix_full()
134 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_operator_matrix_sparse: (n_A != nBa… in compute_operator_matrix_sparse()
137 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, in compute_operator_matrix_sparse()
173 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_operator_matrix_sparse: error creat… in compute_operator_matrix_sparse()
227 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_product_simple_primitives\n"); in compute_operator_matrix_sparse()
261 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_operator_matrix: (tempList3_count >… in compute_operator_matrix_sparse()
271 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_operator_matrix: (tempList3_count >… in compute_operator_matrix_sparse()
315 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, in compute_operator_matrix_sparse()
H A Dbasis_func_pair_list.cc102 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_product_simple_primitives"); in get_maxLimitingFactor()
128 do_output(LOG_CAT_INFO, LOG_AREA_INTEGRALS, "get_basis_func_pair_list, n = %6i", n); in get_basis_func_pair_list_2el()
139 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_extent_for_all_basis_funcs_2el"); in get_basis_func_pair_list_2el()
161 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system."); in get_basis_func_pair_list_2el()
172 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_maxLimitingFactor"); in get_basis_func_pair_list_2el()
212 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_product_simple_primitives"); in get_basis_func_pair_list_2el()
H A Dintegrals_2el_utils.cc226 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in erfc_inverse: (erfc(y_max) > x)"); in erfc_inverse()
241 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in erfc_inverse: too many iterations."); in erfc_inverse()
284 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_extent_for_all_basis_funcs"); in get_list_of_labeled_distrs_maxLimitingFactor()
311 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system."); in get_list_of_labeled_distrs_maxLimitingFactor()
350 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_product_simple_primitives"); in get_list_of_labeled_distrs_maxLimitingFactor()
388 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in compute_extent_for_all_basis_funcs"); in get_list_of_labeled_distrs()
415 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system."); in get_list_of_labeled_distrs()
460 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_product_simple_primitives"); in get_list_of_labeled_distrs()
470 …do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in get_list_of_labeled_distrs: (maxCountDistrs… in get_list_of_labeled_distrs()
518 do_output(LOG_CAT_ERROR, LOG_AREA_INTEGRALS, "error in create_box_system"); in create_box_system_and_reorder_distrs()
/dports/science/ergo/ergo-3.8/source/dft/
H A Dgrid_hicu.cc287 do_output(LOG_CAT_INFO, LOG_AREA_DFT, "print_box:"); in print_box()
289 do_output(LOG_CAT_INFO, LOG_AREA_DFT, "min = %.11f max = %.11f", in print_box()
1923 do_output(LOG_CAT_ERROR, LOG_AREA_DFT, "what(): %s", e.what()); in compute_grid_thread_func()
1958 do_output(LOG_CAT_INFO, LOG_AREA_DFT, "entering compute_grid.."); in compute_grid()
2540 do_output(LOG_CAT_INFO, LOG_AREA_DFT, "sort checked OK"); in get_density()
2676 do_output(LOG_CAT_INFO, LOG_AREA_DFT, "nn = %9i", nn); in get_density()
2677 do_output(LOG_CAT_INFO, LOG_AREA_DFT, "count = %9i", count); in get_density()
2711 do_output(LOG_CAT_INFO, LOG_AREA_DFT, in hicu_grid_generate()
2717 do_output(LOG_CAT_INFO, LOG_AREA_DFT, in hicu_grid_generate()
2730 do_output(LOG_CAT_INFO, LOG_AREA_DFT, in hicu_grid_generate()
[all …]
H A Dxc_matrix_sparse.cc148 do_output(LOG_CAT_INFO, LOG_AREA_DFT, "getXC calling grid_open_full()."); in XCEvaluator()
226 do_output(LOG_CAT_INFO, LOG_AREA_DFT, in getXC()
254 do_output(LOG_CAT_ERROR, LOG_AREA_DFT, in xcWorker()
258 do_output(LOG_CAT_ERROR, LOG_AREA_DFT, in xcWorker()
262 do_output(LOG_CAT_ERROR, LOG_AREA_DFT, in xcWorker()
266 do_output(LOG_CAT_ERROR, LOG_AREA_DFT, in xcWorker()
302 do_output(LOG_CAT_ERROR, LOG_AREA_DFT, in getXC_mt()
319 do_output(LOG_CAT_INFO, LOG_AREA_DFT, in getXC_mt()
405 do_output(LOG_CAT_INFO, LOG_AREA_DFT, in getXC()
/dports/x11-toolkits/gtk20/gtk+-2.24.33/examples/
H A Dextract.awk11 BEGIN {in_example=0; check=0; spec_example=""; do_output=0; flatten=0; verbose=0;
36 $2 == "example-end" { in_example=0; do_output=0 }
38 in_example==1 && check==0 && do_output==1 { gsub(/&amp;/, "\\&", $0);
61 do_output=1;
/dports/science/ergo/ergo-3.8/source/utilities/
H A Ddensitymanager.cc71 do_output(LOG_CAT_ERROR, LOG_AREA_MAIN, "error in 1dintegral: n < 0"); in compute_1d_gaussian_integral_recursive()
191 do_output(LOG_CAT_ERROR, LOG_AREA_MAIN, "error in get_product_simple_primitives"); in get_no_of_primitives_for_density()
234 do_output(LOG_CAT_ERROR, LOG_AREA_MAIN, "(n < 1)"); in do_merge_sort_distrs()
294 do_output(LOG_CAT_ERROR, LOG_AREA_MAIN, "(decision <= 0)"); in do_merge_sort_distrs()
311 do_output(LOG_CAT_ERROR, LOG_AREA_MAIN, "(i1 != n1)"); in do_merge_sort_distrs()
316 do_output(LOG_CAT_ERROR, LOG_AREA_MAIN, "(i2 != n2)"); in do_merge_sort_distrs()
321 do_output(LOG_CAT_ERROR, LOG_AREA_MAIN, "(nn != n)"); in do_merge_sort_distrs()
399 do_output(LOG_CAT_ERROR, LOG_AREA_MAIN, "error: (nn > nNeededForRho)"); in get_density()
425 do_output(LOG_CAT_ERROR, LOG_AREA_MAIN, "error in do_merge_sort_distrs"); in get_density()
443 do_output(LOG_CAT_ERROR, LOG_AREA_MAIN, "error: distr list NOT properly sorted"); in get_density()
[all …]
/dports/science/ergo/ergo-3.8/source/test/
H A Dmatmem_test.cc67 …do_output(LOG_CAT_INFO, LOG_AREA_MAIN, "sizeOfVectorObject = %d, sizeOfPointer = %d, sizeOfSizet =… in main()
70 do_output(LOG_CAT_INFO, LOG_AREA_MAIN, "k = %2d", k); in main()
81 …do_output(LOG_CAT_INFO, LOG_AREA_MAIN, "totSize = %d = %9.5f GB", totSize, (double)totSize / 10000… in main()
91 do_output(LOG_CAT_INFO, LOG_AREA_MAIN, "Allocating single vector of 350 MB."); in main()
100 do_output(LOG_CAT_INFO, LOG_AREA_MAIN, "Doing vector allocation stuff again!"); in main()
112 …do_output(LOG_CAT_INFO, LOG_AREA_MAIN, "totSize = %d = %9.5f GB", totSize, (double)totSize / 10000… in main()
203 …do_output(LOG_CAT_INFO, LOG_AREA_MAIN, "n = %d, Adiag mem usage: %12.0f = %9.5f GB", n, memUsage, … in main()
248 …do_output(LOG_CAT_INFO, LOG_AREA_MAIN, "n = %d, A mem usage: %12.0f = %9.5f GB", n, memUsage, memU… in main()
/dports/japanese/skk-tools/skktools-1.3.3/filters/
H A Dannotation-filter.rb86 do_output = output_all
98 do_output = true
100 do_output = false
109 next if !do_output
/dports/science/ergo/ergo-3.8/source/scf/
H A Ddiis_restricted.cc59 …do_output(LOG_CAT_INFO, LOG_AREA_SCF, "entering DIISManagerRestricted::AddIterationToList, IterCou… in AddIterationToList()
65 do_output(LOG_CAT_ERROR, LOG_AREA_SCF, "error:(IterCount > MaxNoOfIters)"); in AddIterationToList()
125 do_output(LOG_CAT_INFO, LOG_AREA_SCF, "DIISManagerRestricted::AddIterationToList ending OK."); in AddIterationToList()
149 …do_output(LOG_CAT_ERROR, LOG_AREA_SCF, "error in DIISManagerRestricted::GetCombinedFockMatrix: (It… in GetCombinedFockMatrix()
166 do_output(LOG_CAT_ERROR, LOG_AREA_SCF, "error in solve_linear_equation_system"); in GetCombinedFockMatrix()
/dports/science/ergo/ergo-3.8/source/utilities_basic/
H A Doutput.cc53 do_output(int logCategory, int logArea, const char* format, ...) in do_output() function
171 do_output(logCategory, logArea, ss); in do_output_time()
196 do_output(LOG_CAT_MEMUSAGE, logArea, "memory usage at '%s': virt ???? res ???? v peak ????", in output_current_memory_usage()
201 …do_output(LOG_CAT_MEMUSAGE, logArea, "memory usage at '%s': virt %6.3f G res %6.3f G v peak %6.3f … in output_current_memory_usage()
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/utilities/
H A Dtimelimit.py73 self.do_output = self.output is not None
74 if self.comm.rank == 0 and self.do_output:
117 if self.do_output:
154 if self.do_output:
179 if self.comm.rank == 0 and self.do_output:
/dports/security/vaultwarden/vaultwarden-1.23.1/cargo-crates/openssl-src-300.0.2+3.0.0/openssl/util/
H A Dsu-filter.pl28 do_output($out);
51 do_output($out);
60 do_output($_);
259 sub do_output { subroutine
/dports/emulators/qemu60/qemu-6.0.0/roms/edk2/CryptoPkg/Library/OpensslLib/openssl/util/
H A Dsu-filter.pl28 do_output($out);
51 do_output($out);
60 do_output($_);
259 sub do_output { subroutine
/dports/devel/cargo-c/cargo-c-0.9.6+cargo-0.58/cargo-crates/openssl-src-111.16.0+1.1.1l/openssl/util/
H A Dsu-filter.pl28 do_output($out);
51 do_output($out);
60 do_output($_);
259 sub do_output { subroutine
/dports/emulators/qemu42/qemu-4.2.1/roms/edk2/CryptoPkg/Library/OpensslLib/openssl/util/
H A Dsu-filter.pl28 do_output($out);
51 do_output($out);
60 do_output($_);
259 sub do_output { subroutine
/dports/emulators/qemu/qemu-6.2.0/roms/edk2/CryptoPkg/Library/OpensslLib/openssl/util/
H A Dsu-filter.pl28 do_output($out);
51 do_output($out);
60 do_output($_);
259 sub do_output { subroutine
/dports/emulators/qemu5/qemu-5.2.0/roms/edk2/CryptoPkg/Library/OpensslLib/openssl/util/
H A Dsu-filter.pl28 do_output($out);
51 do_output($out);
60 do_output($_);
259 sub do_output { subroutine
/dports/sysutils/vector/vector-0.10.0/cargo-crates/openssl-src-111.9.0+1.1.1g/openssl/util/
H A Dsu-filter.pl28 do_output($out);
51 do_output($out);
60 do_output($_);
259 sub do_output { subroutine
/dports/security/arti/arti-9d0ede26801cdb182daa85c3eb5f0058dc178eb6/cargo-crates/openssl-src-300.0.2+3.0.0/openssl/util/
H A Dsu-filter.pl28 do_output($out);
51 do_output($out);
60 do_output($_);
259 sub do_output {

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