UnitCell Class Reference

#include <linalg3.h>

List of all members.

Public Member Functions
	UnitCell ()
	UnitCell (int m, const double *b)
	UnitCell (int m, const double *b, const int *s)
void	set (int m, const double *b)
void	set (int m, const double *b, const int *s)
UnitCell	operator* (const Matrix33 &m) const
Public Attributes
Matrix33	h
int	n
Vector3	basis [MAXBASISNUM]
int	species [MAXBASISNUM]
Friends
LOStream &	operator<< (LOStream &os, const UnitCell &uc)

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Detailed Description

Definition at line 461 of file linalg3.h.

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Constructor & Destructor Documentation

UnitCell::UnitCell

(

)

[inline]

Definition at line 472 of file linalg3.h.

References basis, Matrix33::eye(), h, species, Vector3::x, Vector3::y, and Vector3::z.

UnitCell::UnitCell	(	int	m,
		const double *	b
	)			[inline]

Definition at line 478 of file linalg3.h.

References basis, Vector3::clear(), Matrix33::eye(), h, MAXBASISNUM, n, species, Vector3::x, Vector3::y, and Vector3::z.

UnitCell::UnitCell	(	int	m,
		const double *	b,
		const int *	s
	)			[inline]

Definition at line 493 of file linalg3.h.

References basis, Vector3::clear(), Matrix33::eye(), h, MAXBASISNUM, n, species, Vector3::x, Vector3::y, and Vector3::z.

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Member Function Documentation

UnitCell UnitCell::operator*

(

const Matrix33 &

m

)

const [inline]

Definition at line 538 of file linalg3.h.

References basis, DUMP, h, Matrix33::inv(), max, MAXBASISNUM, min, n, s, Vector3::set(), species, within01, Vector3::x, Vector3::y, and Vector3::z.

void UnitCell::set	(	int	m,
		const double *	b,
		const int *	s
	)			[inline]

Definition at line 523 of file linalg3.h.

References basis, Vector3::clear(), Matrix33::eye(), h, MAXBASISNUM, n, s, species, Vector3::x, Vector3::y, and Vector3::z.

void UnitCell::set	(	int	m,
		const double *	b
	)			[inline]

Definition at line 508 of file linalg3.h.

References basis, Vector3::clear(), Matrix33::eye(), h, MAXBASISNUM, n, species, Vector3::x, Vector3::y, and Vector3::z.

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Friends And Related Function Documentation

LOStream& operator<<	(	LOStream &	os,
		const UnitCell &	uc
	)			[friend]

Definition at line 601 of file linalg3.h.

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Member Data Documentation

Vector3 UnitCell::basis[MAXBASISNUM]

Definition at line 469 of file linalg3.h.

Referenced by operator*(), set(), and UnitCell().

Matrix33 UnitCell::h

Definition at line 467 of file linalg3.h.

Referenced by operator*(), set(), and UnitCell().

int UnitCell::n

Definition at line 468 of file linalg3.h.

Referenced by operator*(), set(), and UnitCell().

int UnitCell::species[MAXBASISNUM]

Definition at line 470 of file linalg3.h.

Referenced by operator*(), set(), and UnitCell().

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

• My Documents/Codes/MD++.svn/trunk/src/linalg3.h