pele::OrthogonalizeTranslational Class Reference

#include <lowest_eig_potential.h>

Inheritance diagram for pele::OrthogonalizeTranslational:

List of all members.

Public Member Functions
	OrthogonalizeTranslational (size_t natoms, size_t bdim, double tol=1e-6)
virtual	~OrthogonalizeTranslational ()
virtual void	orthogonalize (Array< double > &coords, Array< double > &vector)
Protected Attributes
std::vector< pele::Array < double > >	_tr_evec
size_t	_natoms
size_t	_bdim
size_t	_ndim
double	_d
double	_tol

---

Detailed Description

Definition at line 33 of file lowest_eig_potential.h.

---

Constructor & Destructor Documentation

pele::OrthogonalizeTranslational::OrthogonalizeTranslational	(	size_t	natoms,
		size_t	bdim,
		double	tol = 1e-6
	)		[inline]

Definition at line 41 of file lowest_eig_potential.h.

virtual pele::OrthogonalizeTranslational::~OrthogonalizeTranslational

(

)

[inline, virtual]

Definition at line 48 of file lowest_eig_potential.h.

---

Member Function Documentation

virtual void pele::OrthogonalizeTranslational::orthogonalize	(	Array< double > &	coords,
		Array< double > &	vector
	)		[inline, virtual]

Implements pele::Orthogonalize.

Definition at line 51 of file lowest_eig_potential.h.

---

Member Data Documentation

size_t pele::OrthogonalizeTranslational::_bdim [protected]

Definition at line 36 of file lowest_eig_potential.h.

double pele::OrthogonalizeTranslational::_d [protected]

Definition at line 37 of file lowest_eig_potential.h.

size_t pele::OrthogonalizeTranslational::_natoms [protected]

Definition at line 36 of file lowest_eig_potential.h.

size_t pele::OrthogonalizeTranslational::_ndim [protected]

Definition at line 36 of file lowest_eig_potential.h.

double pele::OrthogonalizeTranslational::_tol [protected]

Definition at line 37 of file lowest_eig_potential.h.

std::vector<pele::Array<double> > pele::OrthogonalizeTranslational::_tr_evec [protected]

Definition at line 35 of file lowest_eig_potential.h.

---

The documentation for this class was generated from the following file:

• /home/js850/projects/pele/source/pele/lowest_eig_potential.h