ModuleBase::YlmReal Class Reference

#include <math_ylmreal.h>

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Public Member Functions
	YlmReal ()
	~YlmReal ()

Static Public Member Functions
static void	Ylm_Real (const int lmax2, const int ng, const ModuleBase::Vector3< double > *g, matrix &ylm)
	spherical harmonic function (real form) an array of vectors
template<typename FPTYPE , typename Device >
static void	Ylm_Real (Device *ctx, const int lmax2, const int ng, const FPTYPE *g, FPTYPE *ylm)
	spherical harmonic function (real form) an array
static void	grad_Ylm_Real (const int lmax2, const int ng, const ModuleBase::Vector3< double > *g, matrix &ylm, matrix &dylmx, matrix &dylmy, matrix &dylmz)
	gradient of spherical harmonic function (real form) an array of vectors
static void	Ylm_Real2 (const int lmax2, const int ng, const ModuleBase::Vector3< double > *g, matrix &ylm)
	spherical harmonic function (Herglotz generating form) of an array of vectors
static void	rlylm (const int lmax, const double &x, const double &y, const double &z, double *rly)
	spherical harmonic function (Herglotz generating form) of a vector

Static Private Member Functions
static long double	Fact (const int n)
static int	Semi_Fact (const int n)

Constructor & Destructor Documentation

YlmReal()

ModuleBase::YlmReal::YlmReal

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~YlmReal()

ModuleBase::YlmReal::~YlmReal

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Member Function Documentation

Fact()

long double ModuleBase::YlmReal::Fact ( const int  n )

staticprivate

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grad_Ylm_Real()

void ModuleBase::YlmReal::grad_Ylm_Real ( const int  lmax2, const int  ng, const ModuleBase::Vector3< double > *  g, matrix &  ylm, matrix &  dylmx, matrix &  dylmy, matrix &  dylmz  )

static

gradient of spherical harmonic function (real form) an array of vectors

Parameters

lmax2	[in] lmax2 = (lmax + 1)^2 ; lmax = angular quantum number
ng	[in] the number of vectors
g	[in] an array of vectors
ylm	[out] Ylm; column index represent vector, row index represent Y00, Y10, Y11, Y1-1, Y20,Y21,Y2-1,Y22.Y2-2,...;
dylmx/dylmy/dylmz	[out] \nabla Ylm; column index represent vector, row index represent dY00/dxyz, dY10/dxyz,...;

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rlylm()

void ModuleBase::YlmReal::rlylm ( const int  lmax, const double &  x, const double &  y, const double &  z, double *  rly  )

static

spherical harmonic function (Herglotz generating form) of a vector

Parameters

lmax	[in] maximum angular quantum number
x	[in] x part of the vector
y	[in] y part of the vector
z	[in] z part of the vector
rly	[in] Ylm, Y00, Y10, Y11, Y1-1, Y20,Y21,Y2-1,Y22.Y2-2,...

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Semi_Fact()

int ModuleBase::YlmReal::Semi_Fact ( const int  n )

staticprivate

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Ylm_Real() [1/2]

void ModuleBase::YlmReal::Ylm_Real ( const int  lmax2, const int  ng, const ModuleBase::Vector3< double > *  g, matrix &  ylm  )

static

spherical harmonic function (real form) an array of vectors

Parameters

lmax2	[in] lmax2 = (lmax + 1)^2 ; lmax = angular quantum number
ng	[in] the number of vectors
g	[in] an array of vectors
ylm	[out] Ylm; column index represent vector, row index represent Y00, Y10, Y11, Y1-1, Y20,Y21,Y2-1,Y22.Y2-2,...;

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Ylm_Real() [2/2]

template<typename FPTYPE , typename Device >

void ModuleBase::YlmReal::Ylm_Real ( Device *  ctx, const int  lmax2, const int  ng, const FPTYPE *  g, FPTYPE *  ylm  )

static

spherical harmonic function (real form) an array

Parameters

lmax2	[in] lmax2 = (lmax + 1)^2 ; lmax = angular quantum number
ng	[in] the number of vectors
g	[in] an array of vectors
ylm	[out] Ylm; column index represent vector, row index represent Y00, Y10, Y11, Y1-1, Y20,Y21,Y2-1,Y22.Y2-2,...;

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Ylm_Real2()

void ModuleBase::YlmReal::Ylm_Real2 ( const int  lmax2, const int  ng, const ModuleBase::Vector3< double > *  g, matrix &  ylm  )

static

spherical harmonic function (Herglotz generating form) of an array of vectors

Parameters

lmax2	[in] lmax2 = (lmax + 1)^2 ; lmax = angular quantum number
ng	[in] the number of vectors
g	[in] an array of vectors
ylm	[out] Ylm; column index represent vector, row index represent Y00, Y10, Y11, Y1-1, Y20,Y21,Y2-1,Y22.Y2-2,...;

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

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