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DryChem 1.0.0
A generic, compile-time C++ toolbox with no dependencies for the modern computational chemistry project.
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#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 () |
| std::vector< double > differentiateThenIntegrate | ( | const std::vector< double > & | x, |
| const std::vector< double > & | y ) |
Referenced by main().
| std::vector< double > integrateThenDifferentiate | ( | const std::vector< double > & | x, |
| const std::vector< double > & | y ) |
Referenced by main().
| void validate | ( | const std::vector< double > & | expected, |
| const std::vector< double > & | actual, | ||
| double | tolerance ) |
| int main | ( | ) |
References differentiateThenIntegrate(), and integrateThenDifferentiate().