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EigenmodeStrategy.h File Reference
#include "ImprovedDimer.h"
#include "LowestEigenmode.h"
#include <memory>

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 = LowestEigenmode
 Type-erased eigenmode solver. Layout is the same with or without gprd.

Functions

std::shared_ptr< LowestEigenmode > eonc::buildEigenmodeStrategy (std::shared_ptr< Matter > matter, const Parameters &params, std::shared_ptr< Potential > pot)
void eonc::eigenmodeCompute (LowestEigenmode &s, std::shared_ptr< Matter > matter, AtomMatrix direction)
double eonc::eigenmodeGetEigenvalue (LowestEigenmode &s)
AtomMatrix eonc::eigenmodeGetEigenvector (LowestEigenmode &s)
ImprovedDimer * eonc::asImprovedDimer (LowestEigenmode &s)
long eonc::eigenmodeTotalForceCalls (LowestEigenmode &s)
double eonc::eigenmodeStatsTorque (LowestEigenmode &s)
double eonc::eigenmodeStatsAngle (LowestEigenmode &s)
long eonc::eigenmodeStatsRotations (LowestEigenmode &s)
long eonc::eigenmodeTotalIterations (LowestEigenmode &s)