ergo
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Code for utility functions used by 2-electron integral computation (i.e. More...
#include "integrals_2el_util_funcs.h"
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) |
Code for utility functions used by 2-electron integral computation (i.e.
computation of J and K matrices).
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 | ||
) |
References i_j_val_struct::i, i_j_val_struct::j, i_j_val_struct::same_i_count, and i_j_val_struct::value.
Referenced by get_J_contribs_from_2_interacting_boxes(), and get_K_contribs_from_2_interacting_boxes().
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 | ||
) |
References i_j_val_struct::i, i_j_val_struct::j, i_j_val_struct::same_i_count, and i_j_val_struct::value.
Referenced by get_J_contribs_from_2_interacting_boxes(), and get_K_contribs_from_2_interacting_boxes().