ci.h File Reference

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

Go to the source code of this file.

Namespaces
namespace	CI
Classes
struct	CI::Options
Functions
int	do_CI (const BasisInfoStruct &basisInfo, const IntegralInfo *integralInfo, const CI::Options &options, const ergo_real *S, const ergo_real *h_AO, const ergo_real *F_a, const ergo_real *F_b, int n_el_a, int n_el_b, ergo_real nuclearEnergy, ergo_real HF_energy)

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Function Documentation

int do_CI	(	const BasisInfoStruct &	basisInfo,
		const IntegralInfo *	integralInfo,
		const CI::Options &	options,
		const ergo_real *	S,
		const ergo_real *	h_AO,
		const ergo_real *	F_a,
		const ergo_real *	F_b,
		int	n_el_a,
		int	n_el_b,
		ergo_real	nuclearEnergy,
		ergo_real	HF_energy
	)

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