LIBINT  2.1.0-stable
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libint2::solidharmonics::SolidHarmonicsCoefficients< Real > Class Template Reference

Transformation coefficients from unnormalized Cartesian Gaussians (rows) to unit-normalized real Solid Harmonics Gaussians. More...

#include <solidharmonics.h>

Public Types

typedef ::libint2::real_t real_t
 

Public Member Functions

 SolidHarmonicsCoefficients (unsigned char l)
 
 SolidHarmonicsCoefficients (SolidHarmonicsCoefficients &&other)
 
 SolidHarmonicsCoefficients (const SolidHarmonicsCoefficients &other)=default
 
void init (unsigned char l)
 
const Real * row_values (size_t r) const
 returns ptr to row values
 
const unsigned char * row_idx (size_t r) const
 returns ptr to row indices
 
unsigned char nnz (size_t r) const
 number of nonzero elements in row r
 

Static Public Member Functions

static const SolidHarmonicsCoefficientsinstance (unsigned int l)
 

Detailed Description

template<typename Real>
class libint2::solidharmonics::SolidHarmonicsCoefficients< Real >

Transformation coefficients from unnormalized Cartesian Gaussians (rows) to unit-normalized real Solid Harmonics Gaussians.

Note
Implemented as a simple fixed-size CSR sparse matrix

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