source/integrals/integrals_2el_single.cc File Reference

Functionality for computing a single 2-electron integral, for two given primitive Gaussian distributions. More...

#include <stdlib.h>
#include <math.h>
#include <stdio.h>
#include <errno.h>
#include <memory.h>
#include <time.h>
#include <stdarg.h>
#include "integrals_2el_single.h"
#include "pi.h"
#include "boysfunction.h"
#include "integrals_hermite.h"

Functions

static ergo_real do_2e_integral_using_symb_info_h (const JK::ExchWeights &CAM_params, const DistributionSpecStruct *psi1, const DistributionSpecStruct *psi2, const IntegralInfo &integralInfo)
ergo_real do_2e_integral_using_symb_info (const JK::ExchWeights &CAM_params, const DistributionSpecStruct *psi1, const DistributionSpecStruct *psi2, const IntegralInfo &integralInfo)

Detailed Description

Functionality for computing a single 2-electron integral, for two given primitive Gaussian distributions.

Author:
: Elias Rudberg responsible

Function Documentation

ergo_real do_2e_integral_using_symb_info ( const JK::ExchWeights CAM_params,
const DistributionSpecStruct psi1,
const DistributionSpecStruct psi2,
const IntegralInfo integralInfo 
)
static ergo_real do_2e_integral_using_symb_info_h ( const JK::ExchWeights CAM_params,
const DistributionSpecStruct psi1,
const DistributionSpecStruct psi2,
const IntegralInfo integralInfo 
) [static]

Generated on 10 Jul 2018 for ergo by  doxygen 1.6.1