Prefactor.h File Reference

#include "Eigen.h"
#include "Matter.h"
#include "Parameters.h"
#include <string_view>

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

Functions
int	eonc::Prefactor::getPrefactors (const Parameters &parameters, Matter *min1, Matter *saddle, Matter *min2, double &pref1, double &pref2)
VectorXi	eonc::Prefactor::movedAtoms (const Parameters &parameters, Matter *min1, Matter *saddle, Matter *min2)
VectorXi	eonc::Prefactor::movedAtomsPct (const Parameters &parameters, Matter *min1, Matter *saddle, Matter *min2)
VectorXi	eonc::Prefactor::allFreeAtoms (Matter *matter)
void	eonc::Prefactor::logFreqs (const VectorXd &freqs, const char *name)

Variables
constexpr std::string_view	eonc::Prefactor::RATE_HTST {"htst"}
constexpr std::string_view	eonc::Prefactor::RATE_QQHTST {"qqhtst"}
constexpr std::string_view	eonc::Prefactor::FILTER_CUTOFF {"cutoff"}
constexpr std::string_view	eonc::Prefactor::FILTER_FRACTION {"fraction"}