NEBSpringForce.cpp File Reference

#include "eon/NEBSpringForce.h"

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

Functions
SpringStrategy	eonc::neb::buildSpringStrategy (const Parameters &params, const std::vector< std::shared_ptr< Matter > > &path, long numImages, int atoms, double maxEnergy, double E_ref)
	Build the appropriate spring strategy from parameters and current path state.