source/integrals/integrals_2el_J_kernel.cc File Reference

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)

Detailed Description

Code for computational kernel for computing the Coulomb matrix J.

Author:
: Elias Rudberg responsible.

Function Documentation

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 
)
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]
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]

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