DimerRotationDispatch.h File Reference

#include "BaseStructures.h"
#include "Davidson.h"
#include "EonLogger.h"
#include "LORRotation.h"
#include "Lanczos.h"
#include "Matter.h"
#include "Parameters.h"
#include <memory>
#include <optional>
#include <string_view>
#include <type_traits>

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Classes
struct	eonc::DimerRotationResult
	Result of a non-classical dimer rotation backend (mode estimate only). More...

Namespaces
namespace	eonc
	RAII resource manager for the ARTn C library with global synchronization.
namespace	eonc::detail

Functions
constexpr bool	eonc::usesAlternativeRotation (DimerRotationBackend backend) noexcept
template<typename Solver>
DimerRotationResult	eonc::detail::runRotationSolver (const std::shared_ptr< Matter > &matter, const Parameters &params, const std::shared_ptr< Potential > &pot, const AtomMatrix &initialDirection)
std::optional< DimerRotationResult >	eonc::runAlternativeRotation (DimerRotationBackend backend, const std::shared_ptr< Matter > &matter, const Parameters &params, const std::shared_ptr< Potential > &pot, const AtomMatrix &initialDirection, quill::Logger *log=nullptr)
	Run Lanczos, Davidson, or LOR.