Prefactor.h File Reference

#include "Eigen.h"
#include "Matter.h"
#include "Parameters.h"

Go to the source code of this file.

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)
VectorXd	eonc::Prefactor::removeZeroFreqs (const Parameters &parameters, VectorXd freqs)
void	eonc::Prefactor::logFreqs (const VectorXd &freqs, const char *name)

Variables
const char	eonc::Prefactor::RATE_HTST [] = "htst"
const char	eonc::Prefactor::RATE_QQHTST [] = "qqhtst"
const char	eonc::Prefactor::FILTER_CUTOFF [] = "cutoff"
const char	eonc::Prefactor::FILTER_FRACTION [] = "fraction"