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Searched refs:basisFuncIndexPairList (Results 1 – 6 of 6) sorted by relevance

/dports/science/ergo/ergo-3.8/source/utilities/
H A Dintegral_matrix_wrappers.cc120 &basisFuncIndexPairList[0], in compute_V_sparse()
137 &basisFuncIndexPairList[0], in compute_V_sparse()
153 rowind[i] = basisFuncIndexPairList[i].index_1; in compute_V_sparse()
154 colind[i] = basisFuncIndexPairList[i].index_2; in compute_V_sparse()
288 &basisFuncIndexPairList[0], in compute_gradient_of_nucl_and_trDV()
622 basisFuncIndexPairList); in compute_J_by_boxes_sparse()
640 rowind[i] = basisFuncIndexPairList[i].index_1; in compute_J_by_boxes_sparse()
641 colind[i] = basisFuncIndexPairList[i].index_2; in compute_J_by_boxes_sparse()
656 &basisFuncIndexPairList[0], in compute_J_by_boxes_sparse()
673 rowind[i] = basisFuncIndexPairList[i].index_1; in compute_J_by_boxes_sparse()
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/dports/science/ergo/ergo-3.8/source/integrals/
H A Dintegrals_1el_kinetic.cc172 std::vector<basis_func_index_pair_struct_1el> basisFuncIndexPairList(noOfBasisFuncIndexPairs); in compute_T_matrix_sparse_linear() local
173 … get_basis_func_pair_list_simple(basisInfo, threshold, boxSize, &basisFuncIndexPairList[0], noOfBa… in compute_T_matrix_sparse_linear()
195 while(currOffset < noOfBasisFuncIndexPairs && basisFuncIndexPairList[currOffset].index_1 == i) in compute_T_matrix_sparse_linear()
224 int nu = basisFuncIndexPairList[startOffset+nuCounter].index_2; in compute_T_matrix_sparse_linear()
225 assert(mu == basisFuncIndexPairList[startOffset+nuCounter].index_1); in compute_T_matrix_sparse_linear()
H A Dintegrals_1el_potential.h62 const basis_func_index_pair_struct_1el* basisFuncIndexPairList,
76 const basis_func_index_pair_struct_1el* basisFuncIndexPairList,
H A Dintegrals_2el_J.cc314 int i = basisFuncIndexPairList[kk].index_1; in get_list_of_labeled_distrs_maxLimitingFactor_linear()
315 int j = basisFuncIndexPairList[kk].index_2; in get_list_of_labeled_distrs_maxLimitingFactor_linear()
364 int i = basisFuncIndexPairList[kk].index_1; in get_list_of_labeled_distrs_linear()
365 int j = basisFuncIndexPairList[kk].index_2; in get_list_of_labeled_distrs_linear()
1287 basisFuncIndexPairList, in compute_J_by_boxes_linear()
1302 basisFuncIndexPairList, in compute_J_by_boxes_linear()
1320 basisFuncIndexPairList, in compute_J_by_boxes_linear()
1744 basisFuncIndexPairList); in compute_J_by_boxes()
1760 int a = basisFuncIndexPairList[i].index_1; in compute_J_by_boxes()
1761 int b = basisFuncIndexPairList[i].index_2; in compute_J_by_boxes()
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H A Dintegrals_1el_potential.cc466 const basis_func_index_pair_struct_1el* basisFuncIndexPairList, in do_interaction_recursive() argument
567 if(basisFuncIndexPairList[pairIdx].index_1 != basisFuncIndexPairList[pairIdx].index_2) in do_interaction_recursive()
702 if(basisFuncIndexPairList[pairIdx].index_1 != basisFuncIndexPairList[pairIdx].index_2) in do_interaction_recursive()
731 basisFuncIndexPairList, in do_interaction_recursive()
927 basisFuncIndexPairList, in do_interaction_recursive_2()
963 int i = basisFuncIndexPairList[kk].index_1; in get_list_of_distrs_for_V()
964 int j = basisFuncIndexPairList[kk].index_2; in get_list_of_distrs_for_V()
1139 basisFuncIndexPairList, in compute_V_and_gradient_linear()
1153 basisFuncIndexPairList, in compute_V_and_gradient_linear()
1320 basisFuncIndexPairList, in compute_V_and_gradient_linear()
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H A Dintegrals_2el_J.h64 const basis_func_index_pair_struct* basisFuncIndexPairList,