eonc::neb::SimpleTangent Struct Reference

Mills, Jonsson, Schenter, Surf. More...

#include <NEBTangent.h>

Public Member Functions
AtomMatrix	compute (const AtomMatrix &posDiffNext, const AtomMatrix &posDiffPrev, double energy, double energyPrev, double energyNext) const

Detailed Description

Mills, Jonsson, Schenter, Surf.

Sci. 324:305, 1995. Simple forward-difference tangent: uses only the direction to the next image.

Definition at line 23 of file NEBTangent.h.

Member Function Documentation

compute()

AtomMatrix eonc::neb::SimpleTangent::compute	(	const AtomMatrix &	posDiffNext,
		const AtomMatrix &	posDiffPrev,
		double	energy,
		double	energyPrev,
		double	energyNext ) const

Definition at line 36 of file NEBTangent.cpp.

                                                  {
  return normalizeTangent(posDiffNext, posDiffNext);
}

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The documentation for this struct was generated from the following files:

• /home/runner/work/eOn/eOn/include/eon/NEBTangent.h
• /home/runner/work/eOn/eOn/client/NEBTangent.cpp