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Searched refs:summedIntegralList (Results 1 – 7 of 7) sorted by relevance

/dports/science/ergo/ergo-3.8/source/integrals/
H A Dintegrals_2el_util_funcs.cc86 ergo_real* summedIntegralList) { in do_summedIntegralList_contribs_std() argument
95 ergo_real* summedIntegralListPtr = &summedIntegralList[idx_1*noOfBasisFuncPairs_2]; in do_summedIntegralList_contribs_std()
116 ergo_real* summedIntegralListPtr_A = &summedIntegralList[idx_1_A*noOfBasisFuncPairs_2]; in do_summedIntegralList_contribs_std()
121 ergo_real* summedIntegralListPtr_B = &summedIntegralList[idx_1_B*noOfBasisFuncPairs_2]; in do_summedIntegralList_contribs_std()
145 ergo_real* summedIntegralListPtr_A = &summedIntegralList[idx_1_A*noOfBasisFuncPairs_2]; in do_summedIntegralList_contribs_std()
150 ergo_real* summedIntegralListPtr_B = &summedIntegralList[idx_1_B*noOfBasisFuncPairs_2]; in do_summedIntegralList_contribs_std()
155 ergo_real* summedIntegralListPtr_C = &summedIntegralList[idx_1_C*noOfBasisFuncPairs_2]; in do_summedIntegralList_contribs_std()
182 ergo_real* summedIntegralListPtr_A = &summedIntegralList[idx_1_A*noOfBasisFuncPairs_2]; in do_summedIntegralList_contribs_std()
187 ergo_real* summedIntegralListPtr_B = &summedIntegralList[idx_1_B*noOfBasisFuncPairs_2]; in do_summedIntegralList_contribs_std()
344 ergo_real* summedIntegralList) { in do_summedIntegralList_contribs_self() argument
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H A Dintegrals_2el_util_funcs.h45 ergo_real* summedIntegralList);
52 ergo_real* summedIntegralList);
H A Dintegrals_2el_J_kernel.cc87 ergo_real* summedIntegralList = bufferStructPtr->summedIntegralList; in get_J_contribs_from_2_interacting_boxes() local
129 memset(summedIntegralList, 0, noOfBasisFuncPairs_1*noOfBasisFuncPairs_2*sizeof(ergo_real)); in get_J_contribs_from_2_interacting_boxes()
214 summedIntegralList); in get_J_contribs_from_2_interacting_boxes()
222 summedIntegralList); in get_J_contribs_from_2_interacting_boxes()
237 ergo_real integralValueCurr = summedIntegralList[idx_1*noOfBasisFuncPairs_2 + idx_2]; in get_J_contribs_from_2_interacting_boxes()
H A Dintegrals_2el_boxed.cc98 ergo_real* summedIntegralList = bufferStructPtr->summedIntegralList; in get_JK_contribs_from_2_interacting_boxes() local
112 memset(summedIntegralList, 0, noOfBasisFuncPairs_1*noOfBasisFuncPairs_2*sizeof(ergo_real)); in get_JK_contribs_from_2_interacting_boxes()
240 summedIntegralList[idx_1*noOfBasisFuncPairs_2 + idx_1] += integralValueCurr; in get_JK_contribs_from_2_interacting_boxes()
249 summedIntegralList[idx_1*noOfBasisFuncPairs_2 + idx_2] += integralValueCurr; in get_JK_contribs_from_2_interacting_boxes()
265 ergo_real integralValueCurr = summedIntegralList[idx_1*noOfBasisFuncPairs_2 + idx_2]; in get_JK_contribs_from_2_interacting_boxes()
H A Dintegrals_2el_K_kernel.cc112 ergo_real* summedIntegralList = bufferStructPtr->summedIntegralList; in get_K_contribs_from_2_interacting_boxes() local
184 memset(summedIntegralList, 0, noOfBasisFuncPairs_1*noOfBasisFuncPairs_2*sizeof(ergo_real)); in get_K_contribs_from_2_interacting_boxes()
294 summedIntegralList); in get_K_contribs_from_2_interacting_boxes()
302 summedIntegralList); in get_K_contribs_from_2_interacting_boxes()
317 ergo_real integralValueCurr = summedIntegralList[idx_1*noOfBasisFuncPairs_2 + idx_2]; in get_K_contribs_from_2_interacting_boxes()
H A Dintegrals_2el_utils.cc131 …bufferStruct->summedIntegralList = new ergo_real[MAX_NO_OF_BASIS_FUNC_PAIRS_PER_BATCH*MAX_NO_OF_BA… in allocate_buffers_needed_by_integral_code()
154 delete [] bufferStruct->summedIntegralList; in free_buffers_needed_by_integral_code()
165 bufferStruct->summedIntegralList = NULL; in free_buffers_needed_by_integral_code()
H A Dintegrals_2el_utils.h86 ergo_real* summedIntegralList; member