eonc::neb::NEB_Projection Struct Reference

Jonsson, Mills, Jacobsen 1998 (World Scientific). More...

#include <NEBProjection.h>

Public Member Functions
AtomMatrix	project (const ImageForceData &d) const

Detailed Description

Jonsson, Mills, Jacobsen 1998 (World Scientific).

Standard NEB: parallel spring force + perpendicular true force.

Definition at line 38 of file NEBProjection.h.

Member Function Documentation

project()

AtomMatrix eonc::neb::NEB_Projection::project

(

const ImageForceData &

d

)

const

Definition at line 21 of file NEBProjection.cpp.

                                                                {
  AtomMatrix fPerp = eonc::neb::forcePerp(d.force, d.tangent);
  return d.springResult.forceSpringPar + fPerp;
}

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

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