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ClusterSinglesDoublesTriplesQuadruplesAlgorithm.hpp
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1#ifndef CLUSTER_SINGLES_DOUBLES_TRIPLES_QUADRUPLES_ALGORITHM_DEFINED
2#define CLUSTER_SINGLES_DOUBLES_TRIPLES_QUADRUPLES_ALGORITHM_DEFINED
3
6#include <math/FockVector.hpp>
7#include <DryTensor.hpp>
9
10#include <util/Tensor.hpp>
11
12#include <string>
13#include <initializer_list>
14
15namespace sisi4s {
27
28public:
30 std::vector<Argument> const &argumentList);
35 virtual void run();
36
37 // TODO: dryRun
38
43 virtual std::string getAbbreviation() = 0;
44
48 static int constexpr DEFAULT_MAX_ITERATIONS = 16;
49
50 static double constexpr DEFAULT_LEVEL_SHIFT = 0.0;
51
52protected:
53 template <typename F>
54 F run();
55};
56} // namespace sisi4s
57
58#endif
Contains all the necessary tools for an algorithm with singles and doubles amplitudes....
Definition ClusterSinglesDoublesAlgorithm.hpp:22
Contains all the necessary tools for an algorithm with singles, doubles and triples amplitudes....
Definition ClusterSinglesDoublesTriplesQuadruplesAlgorithm.hpp:26
static int constexpr DEFAULT_MAX_ITERATIONS
Defines the default number of iterations (16).
Definition ClusterSinglesDoublesTriplesQuadruplesAlgorithm.hpp:48
static double constexpr DEFAULT_LEVEL_SHIFT
Definition ClusterSinglesDoublesTriplesQuadruplesAlgorithm.hpp:50
virtual void run()
Calculates the energy of a ClusterSinglesDoubles algorithm.
Definition ClusterSinglesDoublesTriplesQuadruplesAlgorithm.cxx:25
virtual std::string getAbbreviation()=0
Returns the abbreviation of the concrete algorithm, e.g. "Ccd", "Dcd".
virtual ~ClusterSinglesDoublesTriplesQuadruplesAlgorithm()
Definition ClusterSinglesDoublesTriplesQuadruplesAlgorithm.cxx:18
Definition Algorithm.hpp:10