integrals_2el_exchange.h File Reference

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

Go to the source code of this file.

Functions
int	compute_K_by_boxes (const BasisInfoStruct &basisInfo, const IntegralInfo *integralInfo, const JK::ExchWeights &CAM_params_in, const JK::Params &J_K_params, ergo_real *K, csr_matrix_struct *K_CSR, const ergo_real *dens, csr_matrix_struct *densCSR, int symmetryFlag)

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Function Documentation

int compute_K_by_boxes	(	const BasisInfoStruct &	basisInfo,
		const IntegralInfo *	integralInfo,
		const JK::ExchWeights &	CAM_params_in,
		const JK::Params &	J_K_params,
		ergo_real *	K,
		csr_matrix_struct *	K_CSR,
		const ergo_real *	dens,
		csr_matrix_struct *	densCSR,
		int	symmetryFlag
	)

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