| /dports/science/ergo/ergo-3.8/source/integrals/ |
| H A D | integrals_1el_potential_prep.cc | 45 distrList = other.distrList; in SetOfDistrsForV()
64 int nDistrs = distrList.size(); in write_to_buffer()
93 int nDistrs = distrList.size(); in get_size()
122 distrList.resize(nDistrs); in assign_from_buffer()
147 setOfDistrsForV.distrList.resize(nDistrs); in organize_distrs_for_V()
149 setOfDistrsForV.distrList[i] = inputList[i]; in organize_distrs_for_V()
153 sort_distr_list(&setOfDistrsForV.distrList[0], nDistrs); in organize_distrs_for_V()
165 …s<DistributionSpecStructWithIndexes2>(&setOfDistrsForV.distrList[ind], &setOfDistrsForV.distrList[… in organize_distrs_for_V()
191 ergo_real coord = setOfDistrsForV.distrList[i].distr.centerCoords[coordIdx]; in organize_distrs_for_V()
240 … ergo_real abscoeff = template_blas_fabs(setOfDistrsForV.distrList[groupStartIdx+i].distr.coeff); in organize_distrs_for_V()
[all …]
|
| H A D | organize_distrs.cc | 377 sum += distrList[ii].distr.monomialInts[kk]; in organize_distributions()
392 …plate_blas_fabs(template_blas_pow((ergo_real)pi/distrList[ii].distr.exponent, (ergo_real)1.5) * di… in organize_distributions()
398 ergo_real extent = distrList[ii].distr.extent; in organize_distributions()
787 tempDistrList[count] = distrList[j]; in organize_distributions()
802 [(int)distrList[i].distr.monomialInts[0]] in organize_distributions()
803 [(int)distrList[i].distr.monomialInts[1]] in organize_distributions()
804 [(int)distrList[i].distr.monomialInts[2]]; in organize_distributions()
812 if(distrList[i].distr.extent > maxExtent) in organize_distributions()
813 maxExtent = distrList[i].distr.extent; in organize_distributions()
838 assert(distrList[i].distr.extent > 0); in organize_distributions()
[all …]
|
| H A D | integrals_2el_utils.cc | 253 DistributionSpecStructLabeled* distrList, in compute_extent_for_list_of_distributions() argument
261 …ergo_real erfc_inverse_value = erfc_inverse(threshold / (distrList[i].limitingFactor * maxLimiting… in compute_extent_for_list_of_distributions()
262 … distrList[i].distr.extent = erfc_inverse_value / template_blas_sqrt(distrList[i].distr.exponent); in compute_extent_for_list_of_distributions()
495 const DistributionSpecStructLabeled* distrList, in create_item_list_from_list_of_distributions() argument
501 itemList[i].centerCoords[j] = distrList[i].distr.centerCoords[j]; in create_item_list_from_list_of_distributions()
509 DistributionSpecStructLabeled* distrList, in create_box_system_and_reorder_distrs() argument
514 create_item_list_from_list_of_distributions(distrCount, &distrList[0], &itemList[0]); in create_box_system_and_reorder_distrs()
540 DistributionSpecStructLabeled temp = distrList[otherIdx]; in create_box_system_and_reorder_distrs()
541 distrList[otherIdx] = distrList[i]; in create_box_system_and_reorder_distrs()
542 distrList[i] = temp; in create_box_system_and_reorder_distrs()
|
| H A D | integrals_2el_utils.h | 124 DistributionSpecStructLabeled* distrList,
148 DistributionSpecStructLabeled* distrList,
|
| H A D | integrals_2el_K.cc | 448 const DistributionSpecStructLabeled* distrList, in get_basisFuncGroupInfoList_maxsize() argument
463 const DistributionSpecStructLabeled & currDistr = distrList[j]; in get_basisFuncGroupInfoList_maxsize()
734 std::vector<DistributionSpecStructLabeled> distrList(distrCountTot); in compute_K_by_boxes() local
740 &distrList[0], in compute_K_by_boxes()
756 &distrList[0], in compute_K_by_boxes()
777 &distrList[0], in compute_K_by_boxes()
879 DistributionSpecStructLabeled* currDistr = &distrList[j]; in compute_K_by_boxes()
912 …DistributionSpecStructLabeled* distrListCurrBox = &distrList[boxListTopLevel[i].basicBox.firstItem… in compute_K_by_boxes()
964 &distrList[0], in compute_K_by_boxes()
992 …const DistributionSpecStructLabeled* distrListCurrBox = &distrList[currBox.basicBox.firstItemIndex… in compute_K_by_boxes()
|
| H A D | integrals_2el_J.cc | 443 const DistributionSpecStructLabeled* distrList, in get_largest_and_smallest_extent_for_list_of_distributions() argument
447 ergo_real extent_min = distrList[0].distr.extent; in get_largest_and_smallest_extent_for_list_of_distributions()
448 ergo_real extent_max = distrList[0].distr.extent; in get_largest_and_smallest_extent_for_list_of_distributions()
451 ergo_real extent = distrList[i].distr.extent; in get_largest_and_smallest_extent_for_list_of_distributions()
1311 std::vector<DistributionSpecStructLabeled> distrList(distrCount); in compute_J_by_boxes_linear() local
1317 &distrList[0], in compute_J_by_boxes_linear()
1336 &distrList[0], in compute_J_by_boxes_linear()
1344 …get_largest_and_smallest_extent_for_list_of_distributions(distrCount, &distrList[0], &extent_min, … in compute_J_by_boxes_linear()
1360 &distrList[0], in compute_J_by_boxes_linear()
1426 &distrList[0], in compute_J_by_boxes_linear()
[all …]
|
| H A D | integrals_2el_boxed.cc | 441 std::vector<DistributionSpecStructLabeled> distrList(distrCount); in compute_JK_single_box() local
448 &distrList[0], in compute_JK_single_box()
465 &distrList[0], in compute_JK_single_box()
477 degree += distrList[i].distr.monomialInts[j]; in compute_JK_single_box()
489 distrList2[jcounter] = distrList[i]; in compute_JK_single_box()
|
| H A D | integrals_2el_K_prep.cc | 581 std::vector<DistributionSpecStructLabeled> distrList(distrCount); in create_CSR_for_K() local
584 distrListPtr = &distrList[0]; in create_CSR_for_K()
609 DistributionSpecStructLabeled* curr = &distrList[i]; in create_CSR_for_K()
808 distrList.clear(); in create_CSR_for_K()
|
| H A D | integrals_1el_potential_prep.h | 70 std::vector<DistributionSpecStructWithIndexes2> distrList; member
|
| H A D | integrals_1el_potential.cc | 1513 DistributionSpecStructWithIndexes2* currList = &setOfDistrsForV.distrList[groupStartIdx]; in compute_V_hierarchical()
|
| /dports/math/R-cran-qualityTools/qualityTools/R/ |
| H A D | dis_t.r | 7 distrList = object@distr functionVar
9 for (i in seq(along = distrList)) {
10 temp = distrList[[i]]
147 distrList = object@distr functionVar
158 …lapply(distrList, plot, xlim = xlim, ylim = ylim, line.col = line.col, line.width = line.width, ..…
|
| /dports/science/ergo/ergo-3.8/source/dft/ |
| H A D | grid_hicu.cc | 155 DistributionSpecStruct* distrList; member
1252 compute_integral_over_box(¶ms->density.distrList[i], &box1); in compute_grid_for_box()
1261 compute_integral_over_box(¶ms->density.distrList[i], &box2); in compute_grid_for_box()
1772 &density->distrList[tempList[m]], in compute_grid_thread_func()
1785 paramsStruct.density.distrList = &rhoForSubBox[0]; in compute_grid_thread_func()
2005 Iexact += compute_integral_over_box(&density->distrList[i], &startBox); in compute_grid()
2017 density->distrList, in compute_grid()
2777 density.distrList = &rho[0]; in hicu_grid_generate()
2842 density.distrList = NULL; in grid_generate_sparse_pattern()
|
| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | grid-gen2.c | 167 DistributionSpecStruct* distrList; member
1565 compute_integral_over_box(¶ms->density.distrList[i], &box1); in compute_grid_for_box()
2113 &density->distrList[tempList[m]], in compute_grid_thread_func()
2127 paramsStruct.density.distrList = rhoForSubBox; in compute_grid_thread_func()
2528 &density->distrList[0], in compute_grid()
2537 &density->distrList[i], in compute_grid()
2557 Iexact += compute_integral_over_box(&density->distrList[i], &startBox); in compute_grid()
2568 density->distrList, in compute_grid()
3351 density.distrList = rho; in do_cartesian_grid()
|