ModuleBase::Mathzone Class Reference

atomic coordinates conversion functions More...

#include <mathzone.h>

Collaboration diagram for ModuleBase::Mathzone:

Public Member Functions
	Mathzone ()
	~Mathzone ()

Static Public Member Functions
template<typename Type >
static std::vector< Type >	Pointwise_Product (const std::vector< Type > &f1, const std::vector< Type > &f2)
	Pointwise product of two vectors with same size.
static void	Direct_to_Cartesian (const double &dx, const double &dy, const double &dz, const double &R11, const double &R12, const double &R13, const double &R21, const double &R22, const double &R23, const double &R31, const double &R32, const double &R33, double &cx, double &cy, double &cz)
	change direct coordinate (dx,dy,dz) to Cartesian coordinate (cx,cy,cz), (dx,dy,dz) = (cx,cy,cz) * R
static void	Cartesian_to_Direct (const double &cx, const double &cy, const double &cz, const double &R11, const double &R12, const double &R13, const double &R21, const double &R22, const double &R23, const double &R31, const double &R32, const double &R33, double &dx, double &dy, double &dz)
	Change Cartesian coordinate (cx,cy,cz) to direct coordinate (dx,dy,dz), (cx,cy,cz) = (dx,dy,dz) * R^(-1)
template<typename T >
static ModuleBase::Vector3< T >	latvec_projection (const std::array< ModuleBase::Vector3< T >, 3 > &latvec)

Detailed Description

atomic coordinates conversion functions

Constructor & Destructor Documentation

Mathzone()

ModuleBase::Mathzone::Mathzone

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~Mathzone()

ModuleBase::Mathzone::~Mathzone

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Member Function Documentation

Cartesian_to_Direct()

static void ModuleBase::Mathzone::Cartesian_to_Direct ( const double &  cx, const double &  cy, const double &  cz, const double &  R11, const double &  R12, const double &  R13, const double &  R21, const double &  R22, const double &  R23, const double &  R31, const double &  R32, const double &  R33, double &  dx, double &  dy, double &  dz  )

inlinestatic

Change Cartesian coordinate (cx,cy,cz) to direct coordinate (dx,dy,dz), (cx,cy,cz) = (dx,dy,dz) * R^(-1)

Parameters

[in]	cx	Cartesian coordinats
[in]	cy
[in]	cz
[in]	R11	Lattice vector matrix R_ij: i_row, j_column
[in]	R12
[in]	R13
[in]	R21
[in]	R22
[in]	R23
[in]	R31
[in]	R32
[in]	R33
[out]	dx	Direct coordinats
[out]	dy
[out]	dz

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Direct_to_Cartesian()

static void ModuleBase::Mathzone::Direct_to_Cartesian ( const double &  dx, const double &  dy, const double &  dz, const double &  R11, const double &  R12, const double &  R13, const double &  R21, const double &  R22, const double &  R23, const double &  R31, const double &  R32, const double &  R33, double &  cx, double &  cy, double &  cz  )

inlinestatic

change direct coordinate (dx,dy,dz) to Cartesian coordinate (cx,cy,cz), (dx,dy,dz) = (cx,cy,cz) * R

Parameters

[in]	dx	Direct coordinats
[in]	dy
[in]	dz
[in]	R11	Lattice vector matrix R_ij: i_row, j_column
[in]	R12
[in]	R13
[in]	R21
[in]	R22
[in]	R23
[in]	R31
[in]	R32
[in]	R33
[out]	cx	Cartesian coordinats
[out]	cy
[out]	cz

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latvec_projection()

template<typename T >

static ModuleBase::Vector3< T > ModuleBase::Mathzone::latvec_projection ( const std::array< ModuleBase::Vector3< T >, 3 > &  latvec )

inlinestatic

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Pointwise_Product()

template<typename Type >

static std::vector< Type > ModuleBase::Mathzone::Pointwise_Product ( const std::vector< Type > &  f1, const std::vector< Type > &  f2  )

inlinestatic

Pointwise product of two vectors with same size.

Template Parameters

Type

Parameters

[in]	f1
[in]	f2

Returns

std::vector<Type>

Author

Peize Lin (2016-08-03)

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_base/mathzone.h