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NEBProjection.cpp File Reference

Go to the source code of this file.

Namespaces

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

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.