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 SolidHarmonicsCoefficients &	instance (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

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

• solidharmonics.h