ergo
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#include "integral_info.h"
#include "basisinfo.h"
#include "integrals_2el.h"
#include "basis_func_pair_list.h"
#include "csr_matrix.h"
Go to the source code of this file.
Functions | |
int | compute_JK_single_box (const BasisInfoStruct &basisInfo, const IntegralInfo *integralInfo, ergo_real *J, ergo_real *K, const ergo_real *dens, ergo_real threshold) |
int compute_JK_single_box | ( | const BasisInfoStruct & | basisInfo, |
const IntegralInfo * | integralInfo, | ||
ergo_real * | J, | ||
ergo_real * | K, | ||
const ergo_real * | dens, | ||
ergo_real | threshold | ||
) |
References BasisInfoStruct::noOfBasisFuncs, get_max_abs_vector_element(), do_output(), LOG_CAT_INFO, LOG_AREA_INTEGRALS, LOG_CAT_ERROR, get_list_of_labeled_distrs_maxLimitingFactor(), get_list_of_labeled_distrs(), compute_extent_for_list_of_distributions(), IntegralInfo::monomial_info, monomial_info_struct::no_of_monomials_list, NUMBER_OF_PARTS, organize_distributions(), HUGE_INTEGER_NUMBER, allocate_buffers_needed_by_integral_code(), get_JK_contribs_from_2_interacting_boxes(), distr_list_description_struct::org, distr_org_struct::groupCount, distr_org_struct::groupList, distr_org_struct::minimalDistrList, distr_org_struct::clusterList, distr_org_struct::clusterCount, distr_org_struct::chunkList, distr_org_struct::chunkCount, distr_org_struct::basisFuncPairList, and free_buffers_needed_by_integral_code().
Referenced by compute_2e_matrix_list(), and get_2e_matrices_and_energy_sparse_unrestricted().