EigenmodeStrategy.h File Reference

#include "Davidson.h"
#include "Dimer.h"
#include "ImprovedDimer.h"
#include "Lanczos.h"
#include "LowestEigenmode.h"
#include <stdexcept>
#include <variant>

Go to the source code of this file.

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

Typedefs
using	eonc::EigenmodeStrategy = std::variant<Dimer, ImprovedDimer, Lanczos, Davidson>
using	EigenmodeStrategy

Functions
std::shared_ptr< EigenmodeStrategy >	eonc::buildEigenmodeStrategy (std::shared_ptr< Matter > matter, const Parameters &params, std::shared_ptr< Potential > pot)
	Build the eigenmode solver from parameters.
void	eonc::eigenmodeCompute (EigenmodeStrategy &s, std::shared_ptr< Matter > matter, AtomMatrix direction)
	Dispatch compute() to the active variant.
double	eonc::eigenmodeGetEigenvalue (EigenmodeStrategy &s)
	Dispatch getEigenvalue() to the active variant.
AtomMatrix	eonc::eigenmodeGetEigenvector (EigenmodeStrategy &s)
	Dispatch getEigenvector() to the active variant.
ImprovedDimer *	eonc::asImprovedDimer (EigenmodeStrategy &s)
	Access ImprovedDimer-specific features.
long	eonc::eigenmodeTotalForceCalls (EigenmodeStrategy &s)
	Read stats from any variant (all inherit LowestEigenmode stats fields).
double	eonc::eigenmodeStatsTorque (EigenmodeStrategy &s)
double	eonc::eigenmodeStatsAngle (EigenmodeStrategy &s)
long	eonc::eigenmodeStatsRotations (EigenmodeStrategy &s)
long	eonc::eigenmodeTotalIterations (EigenmodeStrategy &s)

Typedef Documentation

EigenmodeStrategy

using eonc::EigenmodeStrategy

Definition at line 32 of file EigenmodeStrategy.h.