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sisi4s
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#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 | ) |