GeometryAnalysis.h File Reference

#include "Eigen.h"
#include <memory>

Go to the source code of this file.

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

Functions
RotationMatrix	eonc::geometry::rotationExtract (const AtomMatrix r1, const AtomMatrix r2)
bool	eonc::geometry::rotationMatch (const Matter &m1, const Matter &m2, const double max_diff)
void	eonc::geometry::projectOutRotTrans (Eigen::VectorXd &step, const AtomMatrix &positions)
void	eonc::geometry::rotationRemove (const AtomMatrix r1, std::shared_ptr< Matter > m2)
void	eonc::geometry::rotationRemove (const std::shared_ptr< Matter > m1, std::shared_ptr< Matter > m2)
void	eonc::geometry::translationRemove (Matter &m1, const AtomMatrix r1)
void	eonc::geometry::translationRemove (Matter &m1, const Matter &m2)
double	eonc::geometry::maxAtomMotion (const AtomMatrix v1)
double	eonc::geometry::maxAtomMotionV (const VectorXd v1)
long	eonc::geometry::numAtomsMoved (const AtomMatrix v1, double cutoff)
AtomMatrix	eonc::geometry::maxAtomMotionApplied (const AtomMatrix v1, double maxMotion)
VectorXd	eonc::geometry::maxAtomMotionAppliedV (const VectorXd v1, double maxMotion)
AtomMatrix	eonc::geometry::maxMotionApplied (const AtomMatrix v1, double maxMotion)
VectorXd	eonc::geometry::maxMotionAppliedV (const VectorXd v1, double maxMotion)
bool	eonc::geometry::identical (const Matter &m1, const Matter &m2, const double distanceDifference)
bool	eonc::geometry::sortedR (const Matter &m1, const Matter &m2, const double distanceDifference)
void	eonc::geometry::pushApart (std::shared_ptr< Matter > m1, double minDistance)