sisi4s
|
#include <string>
#include <algorithms/NuclearRepulsionEnergy.hpp>
#include <util/Libint.hpp>
#include <util/Tensor.hpp>
#include <Sisi4s.hpp>
#include <util/Log.hpp>
#include <iostream>
#include <util/Emitter.hpp>
Macros | |
#define | LOGGER(_l) LOG(_l, "NuclearRepulsionEnergy") |
Functions | |
double | getEnergy (const std::vector< libint2::Atom > &structure) |
#define LOGGER | ( | _l | ) | LOG(_l, "NuclearRepulsionEnergy") |
double getEnergy | ( | const std::vector< libint2::Atom > & | structure | ) |