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sisi4s
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#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 | ) |