eonc::neb::ImageForceData Struct Reference

Data for a single image needed by projection strategies. More...

#include <NEBProjection.h>

Public Attributes
const AtomMatrix &	force
const AtomMatrix &	tangent
const SpringResult &	springResult
long	nFreeAtoms
long	nAtoms

Detailed Description

Data for a single image needed by projection strategies.

Definition at line 22 of file NEBProjection.h.

Member Data Documentation

force

const AtomMatrix& eonc::neb::ImageForceData::force

Definition at line 23 of file NEBProjection.h.

nAtoms

long eonc::neb::ImageForceData::nAtoms

Definition at line 27 of file NEBProjection.h.

nFreeAtoms

long eonc::neb::ImageForceData::nFreeAtoms

Definition at line 26 of file NEBProjection.h.

springResult

const SpringResult& eonc::neb::ImageForceData::springResult

Definition at line 25 of file NEBProjection.h.

tangent

const AtomMatrix& eonc::neb::ImageForceData::tangent

Definition at line 24 of file NEBProjection.h.

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

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