sisi4s
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Mp2NaturalOrbitals.hpp
Go to the documentation of this file.
1#ifndef MP2_NATURAL_ORBITALS
2#define MP2_NATURAL_ORBITALS
3
5
6namespace sisi4s {
11public:
13 Mp2NaturalOrbitals(std::vector<Argument> const &argumentList);
14 virtual ~Mp2NaturalOrbitals();
18 virtual void run();
19
20protected:
21};
22} // namespace sisi4s
23
24#endif
#define ALGORITHM_REGISTRAR_DECLARATION(NAME)
Auxiliary macro declaring the algorithm registrar for the algorithm type of the given name....
Definition Algorithm.hpp:169
Definition Algorithm.hpp:26
Caclulates MP2 natural orbitals.
Definition Mp2NaturalOrbitals.hpp:10
virtual void run()
Calculates MP2 energy from Coulomb integrals Vabij.
Definition Mp2NaturalOrbitals.cxx:35
virtual ~Mp2NaturalOrbitals()
Definition Mp2NaturalOrbitals.cxx:33
Definition Algorithm.hpp:10