ergo
integrals_2el_util_funcs.h File Reference

Code for utility functions used by 2-electron integral computation (i.e. More...

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Functions

void do_summedIntegralList_contribs_std (const i_j_val_struct *conv_mat_1_sp, int conv_mat_1_sp_nnz, const i_j_val_struct *conv_mat_2_sp, int conv_mat_2_sp_nnz, int noOfMonomials_1, int noOfMonomials_2, const ergo_real *primitiveIntegralList, int noOfBasisFuncPairs_1, int noOfBasisFuncPairs_2, ergo_real *summedIntegralList)
 
void do_summedIntegralList_contribs_self (const i_j_val_struct *conv_mat_1_sp, int conv_mat_1_sp_nnz, const i_j_val_struct *conv_mat_2_sp, int conv_mat_2_sp_nnz, int noOfMonomials_1, int noOfMonomials_2, const ergo_real *primitiveIntegralList, int noOfBasisFuncPairs_1, int noOfBasisFuncPairs_2, ergo_real *summedIntegralList)
 

Detailed Description

Code for utility functions used by 2-electron integral computation (i.e.

computation of J and K matrices).

Author
: Elias Rudberg responsible.

Function Documentation

◆ do_summedIntegralList_contribs_self()

void do_summedIntegralList_contribs_self ( const i_j_val_struct conv_mat_1_sp,
int  conv_mat_1_sp_nnz,
const i_j_val_struct conv_mat_2_sp,
int  conv_mat_2_sp_nnz,
int  noOfMonomials_1,
int  noOfMonomials_2,
const ergo_real primitiveIntegralList,
int  noOfBasisFuncPairs_1,
int  noOfBasisFuncPairs_2,
ergo_real summedIntegralList 
)

◆ do_summedIntegralList_contribs_std()

void do_summedIntegralList_contribs_std ( const i_j_val_struct conv_mat_1_sp,
int  conv_mat_1_sp_nnz,
const i_j_val_struct conv_mat_2_sp,
int  conv_mat_2_sp_nnz,
int  noOfMonomials_1,
int  noOfMonomials_2,
const ergo_real primitiveIntegralList,
int  noOfBasisFuncPairs_1,
int  noOfBasisFuncPairs_2,
ergo_real summedIntegralList 
)