NEBProjection.h File Reference

#include "Eigen.h"
#include "NEBSpringForce.h"
#include "Parameters.h"
#include <variant>

Go to the source code of this file.

Classes
struct	eonc::neb::ImageForceData
	Data for a single image needed by projection strategies. More...
struct	eonc::neb::PlainEB
	Mills, Jonsson, Schenter, Surf. More...
struct	eonc::neb::NEB_Projection
	Jonsson, Mills, Jacobsen 1998 (World Scientific). More...
struct	eonc::neb::DNEB_Projection
	Trygubenko & Wales, JCP 120:2082, 2004. More...

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

Typedefs
using	eonc::neb::ProjectionStrategy

Functions
ProjectionStrategy	eonc::neb::buildProjectionStrategy (const Parameters &params)
	Build the projection strategy from parameters.
AtomMatrix	eonc::neb::computeDNEBComponent (const AtomMatrix &forceSpring, const AtomMatrix &tangent, const AtomMatrix &forcePerp)
	Compute the DNEB force component for a given image.