NEBTangent.h File Reference

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

Go to the source code of this file.

Classes
struct	eonc::neb::SimpleTangent
	Mills, Jonsson, Schenter, Surf. More...
struct	eonc::neb::ImprovedTangent
	Henkelman & Jonsson, JCP 113:9978, 2000. More...

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

Typedefs
using	eonc::neb::TangentStrategy = std::variant<SimpleTangent, ImprovedTangent>

Functions
TangentStrategy	eonc::neb::buildTangentStrategy (const Parameters &params)
	Build the tangent strategy from parameters.