diagonalize.cpp File Reference

#include "pairinteraction/diagonalize/diagonalize.hpp"
#include "pairinteraction/system/SystemAtom.hpp"
#include "pairinteraction/system/SystemPair.hpp"
#include "pairinteraction/utils/Range.hpp"
#include <complex>
#include <oneapi/tbb.h>
#include <optional>

Include dependency graph for diagonalize.cpp:

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Namespaces
namespace	pairinteraction

Macros
#define	INSTANTIATE_DIAGONALIZE_HELPER(SCALAR, TYPE)
#define	INSTANTIATE_DIAGONALIZE(SCALAR)

Functions
template<typename Derived >
void	pairinteraction::diagonalize (std::initializer_list< std::reference_wrapper< Derived > > systems, const DiagonalizerInterface< typename Derived::scalar_t > &diagonalizer, std::optional< typename Derived::real_t > min_eigenenergy={}, std::optional< typename Derived::real_t > max_eigenenergy={}, double rtol=1e-6)
template<typename Derived >
void	pairinteraction::diagonalize (std::vector< Derived > &systems, const DiagonalizerInterface< typename Derived::scalar_t > &diagonalizer, std::optional< typename Derived::real_t > min_eigenenergy={}, std::optional< typename Derived::real_t > max_eigenenergy={}, double rtol=1e-6)
template<typename Derived >
void	pairinteraction::diagonalize (std::vector< std::reference_wrapper< Derived > > systems, const DiagonalizerInterface< typename Derived::scalar_t > &diagonalizer, std::optional< typename Derived::real_t > min_eigenenergy={}, std::optional< typename Derived::real_t > max_eigenenergy={}, double rtol=1e-6)

Macro Definition Documentation

INSTANTIATE_DIAGONALIZE

#define INSTANTIATE_DIAGONALIZE

(

SCALAR

)

Value:

    INSTANTIATE_DIAGONALIZE_HELPER(SCALAR, SystemAtom)                                             \
    INSTANTIATE_DIAGONALIZE_HELPER(SCALAR, SystemPair)

Definition at line 70 of file diagonalize.cpp.

INSTANTIATE_DIAGONALIZE_HELPER

#define INSTANTIATE_DIAGONALIZE_HELPER	(		SCALAR,
			TYPE
	)

Value:

    template void diagonalize(std::initializer_list<std::reference_wrapper<TYPE<SCALAR>>> systems, \
                              const DiagonalizerInterface<TYPE<SCALAR>::scalar_t> &diagonalizer,   \
                              std::optional<TYPE<SCALAR>::real_t> min_eigenenergy,                 \
                              std::optional<TYPE<SCALAR>::real_t> max_eigenenergy, double rtol);   \
    template void diagonalize(std::vector<TYPE<SCALAR>> &systems,                                  \
                              const DiagonalizerInterface<TYPE<SCALAR>::scalar_t> &diagonalizer,   \
                              std::optional<TYPE<SCALAR>::real_t> min_eigenenergy,                 \
                              std::optional<TYPE<SCALAR>::real_t> max_eigenenergy, double rtol);   \
    template void diagonalize(std::vector<std::reference_wrapper<TYPE<SCALAR>>> systems,           \
                              const DiagonalizerInterface<TYPE<SCALAR>::scalar_t> &diagonalizer,   \
                              std::optional<TYPE<SCALAR>::real_t> min_eigenenergy,                 \
                              std::optional<TYPE<SCALAR>::real_t> max_eigenenergy, double rtol);

Definition at line 57 of file diagonalize.cpp.