DryChem 1.0.0
A generic, compile-time C++ toolbox with no dependencies for the modern computational chemistry project.
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finiteDifferencesExample.cpp File Reference
#include <algorithm>
#include <cstddef>
#include <iostream>
#include <numeric>
#include <vector>
#include <common-utils/math.hpp>

Functions

std::vector< double > differentiateThenIntegrate (const std::vector< double > &x, const std::vector< double > &y)
 
std::vector< double > integrateThenDifferentiate (const std::vector< double > &x, const std::vector< double > &y)
 
void validate (const std::vector< double > &expected, const std::vector< double > &actual, double tolerance)
 
int main ()
 

Function Documentation

◆ differentiateThenIntegrate()

std::vector< double > differentiateThenIntegrate ( const std::vector< double > & x,
const std::vector< double > & y )

Referenced by main().

◆ integrateThenDifferentiate()

std::vector< double > integrateThenDifferentiate ( const std::vector< double > & x,
const std::vector< double > & y )

Referenced by main().

◆ validate()

void validate ( const std::vector< double > & expected,
const std::vector< double > & actual,
double tolerance )

◆ main()