Code for computational kernel for computing the Coulomb matrix J. More...
#include "integrals_2el_J_kernel.h"
#include "pi.h"
#include "integrals_hermite.h"
#include "integrals_2el_util_funcs.h"
Functions | |
static void | transfer_to_result_J_list (int nBatchs, const std::vector< batch_struct > &batchList, const std::vector< basis_func_pair_struct > &basisFuncPairList, const std::vector< ergo_real > &result_J_list_local, ergo_real *result_J_list) |
static void | transfer_to_resultMatContrib (int nBatchs, const std::vector< batch_struct > &batchList, const std::vector< basis_func_pair_struct > &basisFuncPairList, const ergo_real *result_J_list_local, ResultMatContrib *resultMatContrib) |
int | get_J_contribs_from_2_interacting_boxes (const IntegralInfo &integralInfo, ergo_real *result_J_list, ResultMatContrib *resultMatContrib, const distr_org_struct &distr_org_struct_1, const distr_org_struct &distr_org_struct_2, int interactionWithSelf, ergo_real threshold, JK_contribs_buffer_struct *bufferStructPtr) |
Code for computational kernel for computing the Coulomb matrix J.
int get_J_contribs_from_2_interacting_boxes | ( | const IntegralInfo & | integralInfo, | |
ergo_real * | result_J_list, | |||
ResultMatContrib * | resultMatContrib, | |||
const distr_org_struct & | distr_org_struct_1, | |||
const distr_org_struct & | distr_org_struct_2, | |||
int | interactionWithSelf, | |||
ergo_real | threshold, | |||
JK_contribs_buffer_struct * | bufferStructPtr | |||
) |
References distr_org_struct::basisFuncPairList, distr_org_struct::batchList, distr_org_struct::clusterList, do_summedIntegralList_contribs_self(), do_summedIntegralList_contribs_std(), get_related_integrals_hermite(), distr_org_struct::groupList, IntegralInfo::monomial_info, monomial_info_struct::no_of_monomials_list, pitopow52, JK_contribs_buffer_struct::primitiveIntegralList, distr_org_struct::spMatCountList, distr_org_struct::spMatElementList, distr_org_struct::spMatIdxList, JK_contribs_buffer_struct::summedIntegralList, template_blas_fabs(), template_blas_sqrt(), transfer_to_result_J_list(), and transfer_to_resultMatContrib().
Referenced by execute_joblist_J_std_serial(), and execute_joblist_J_std_thread_func().
static void transfer_to_result_J_list | ( | int | nBatchs, | |
const std::vector< batch_struct > & | batchList, | |||
const std::vector< basis_func_pair_struct > & | basisFuncPairList, | |||
const std::vector< ergo_real > & | result_J_list_local, | |||
ergo_real * | result_J_list | |||
) | [static] |
Referenced by get_J_contribs_from_2_interacting_boxes().
static void transfer_to_resultMatContrib | ( | int | nBatchs, | |
const std::vector< batch_struct > & | batchList, | |||
const std::vector< basis_func_pair_struct > & | basisFuncPairList, | |||
const ergo_real * | result_J_list_local, | |||
ResultMatContrib * | resultMatContrib | |||
) | [static] |
References ResultMatContrib::addContrib().
Referenced by get_J_contribs_from_2_interacting_boxes().