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[] 
)

int try_integral_diffs ( const IntegralInfo integralInfo,
ergo_real  h 
)


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