#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) |
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 | |||
) |