source/integrals/integrals_2el_boxed.h File Reference

Code for 2-electron integrals, computation of Coulomb (J) and HF exchange (K) matrices using a single box. More...

#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)

Detailed Description

Code for 2-electron integrals, computation of Coulomb (J) and HF exchange (K) matrices using a single box.

Author:
: Elias Rudberg responsible

Function Documentation

int compute_JK_single_box ( const BasisInfoStruct basisInfo,
const IntegralInfo integralInfo,
ergo_real J,
ergo_real K,
const ergo_real dens,
ergo_real  threshold 
)

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