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"

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

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

References try_integral_diffs().

int try_integral_diffs ( const IntegralInfo integralInfo,
ergo_real  h 
)

References charge, ERGO_SPREFIX, and do_2e_integral().

Referenced by main().