ergo
ci.h File Reference
#include "basisinfo.h"
#include "integrals_2el.h"

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Classes

struct  CI::Options

Namespaces

namespace  CI

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)

Function Documentation