source/integrals/integrals_2el_K_prep.h File Reference

Code for preparing for computation of the Hartree-Fock exchange matrix K. More...

#include "basisinfo.h"
#include "integrals_2el.h"
#include "csr_matrix.h"

Go to the source code of this file.

Functions

int create_CSR_for_K (const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const JK::Params &J_K_params, csr_matrix_struct *dens_CSR, csr_matrix_struct *K_CSR, int symmetryFlag)

Detailed Description

Code for preparing for computation of the Hartree-Fock exchange matrix K.

Author:
: Elias Rudberg responsible.

Function Documentation

int create_CSR_for_K ( const BasisInfoStruct basisInfo,
const IntegralInfo integralInfo,
const JK::Params J_K_params,
csr_matrix_struct dens_CSR,
csr_matrix_struct K_CSR,
int  symmetryFlag 
)

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