ModuleBase::Clebsch_Gordan Class Reference

#include <clebsch_gordan_coeff.h>

Collaboration diagram for ModuleBase::Clebsch_Gordan:

Public Member Functions
	Clebsch_Gordan ()
	~Clebsch_Gordan ()

Static Public Member Functions
static void	clebsch_gordan (const int &lli, ModuleBase::realArray &ap, ModuleBase::IntArray &lpx, ModuleBase::IntArray &lpl)
	computes Clebsch-Gordan coefficient

Static Private Member Functions
static void	gen_rndm_r (const int &llx, ModuleBase::Vector3< double > *r)
	generate random vector
static double	compute_ap (const int &L, const int &li, const int &lj, const int &llx, const ModuleBase::matrix &ylm, const ModuleBase::matrix &mly)
	store the inverse of ylm(ir,lm) in mly(lm,ir)

Constructor & Destructor Documentation

Clebsch_Gordan()

ModuleBase::Clebsch_Gordan::Clebsch_Gordan

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~Clebsch_Gordan()

ModuleBase::Clebsch_Gordan::~Clebsch_Gordan

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Member Function Documentation

clebsch_gordan()

void ModuleBase::Clebsch_Gordan::clebsch_gordan ( const int &  lli, ModuleBase::realArray &  ap, ModuleBase::IntArray &  lpx, ModuleBase::IntArray &  lpl  )

static

computes Clebsch-Gordan coefficient

this routine computes the coefficients of the expansion of the product of two real spherical harmonics into real spherical harmonics.

Y_limi(r) * Y_ljmj(r) = \sum_LM ap(LM,limi,ljmj) Y_LM(r)

The indices limi,ljmj and LM assume the order for real spherical harmonics given in routine ylmr2

Parameters

lli	[in] lmaxkb + 1: the maximum li considered
ap	[out] coefficients of the expansion
lpx	[out] for each input limi,ljmj is the number of LM in the sum
lpl	[out] for each input limi,ljmj points to the allowed LM

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compute_ap()

double ModuleBase::Clebsch_Gordan::compute_ap ( const int &  L, const int &  li, const int &  lj, const int &  llx, const ModuleBase::matrix &  ylm, const ModuleBase::matrix &  mly  )

staticprivate

store the inverse of ylm(ir,lm) in mly(lm,ir)

Parameters

L	[in] angular momentum L
li	[in] angular momentum li
lj	[in] angular momentum lj
llx	[in] the number of vectors
ylm	[in] real spherical harmonics
mly	[in] the inverse of ylm(ir,lm)

Returns

double the expansion coefficients

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gen_rndm_r()

void ModuleBase::Clebsch_Gordan::gen_rndm_r ( const int &  llx, ModuleBase::Vector3< double > *  r  )

staticprivate

generate random vector

Parameters

llx	[in] the number of vectors
r	[out] an array of vectors

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