ergo
explicit_integral_test.cc File Reference

Tests the explicit computation of 2-electron integrals by moving basis functions by small distances and verifying that the computed 2-el integrals vary smoothly. More...

#include <stdio.h>
#include <unistd.h>
#include <memory>
#include <limits>
#include <vector>
#include "integrals_2el_explicit.h"
#include "matInclude.h"

Functions

int try_integral_diffs (const IntegralInfo &integralInfo, ergo_real h)
 
int main (int argc, char *argv[])
 

Detailed Description

Tests the explicit computation of 2-electron integrals by moving basis functions by small distances and verifying that the computed 2-el integrals vary smoothly.

Function Documentation

◆ main()

int main ( int  argc,
char *  argv[] 
)

◆ try_integral_diffs()