sisi4s
|
#include <Eigen/Dense>
#include <Eigen/Eigenvalues>
#include <string>
#include <vector>
#include <algorithms/HartreeFockFromCoulombIntegrals.hpp>
#include <Sisi4s.hpp>
#include <util/Log.hpp>
#include <iostream>
#include <util/Tensor.hpp>
#include <numeric>
Macros | |
#define | IF_GIVEN(_l, ...) if (isArgumentGiven(_l)) { __VA_ARGS__ } |
#define | LOGGER(_l) LOG(_l, "HartreeFockFromCoulombIntegrals") |
#define | LOGGER_IT(_l) LOG(_l, "HartreeFockFromCoulombIntegralsIt") |
Functions | |
Tensor< double > | toCtfMatrix (const MatrixColumnMajor &m) |
MatrixColumnMajor | getFockMatrix (const Eigen::MatrixXd &d, Tensor< double > &V) |
#define IF_GIVEN | ( | _l, | |
... | |||
) | if (isArgumentGiven(_l)) { __VA_ARGS__ } |
#define LOGGER | ( | _l | ) | LOG(_l, "HartreeFockFromCoulombIntegrals") |
#define LOGGER_IT | ( | _l | ) | LOG(_l, "HartreeFockFromCoulombIntegralsIt") |
MatrixColumnMajor getFockMatrix | ( | const Eigen::MatrixXd & | d, |
Tensor< double > & | V | ||
) |
Tensor< double > toCtfMatrix | ( | const MatrixColumnMajor & | m | ) |