spheric_function.hpp File Reference

Contains declaration and implementation of sirius::Spheric_function and sirius::Spheric_function_gradient classes. More...

Go to the source code of this file.

Classes
class	sirius::Spheric_function< domain_t, T >
	Function in spherical harmonics or spherical coordinates representation. More...
class	sirius::Spheric_vector_function< domain_t, T >
	3D vector function. More...

Namespaces
module	sirius
	Namespace of the SIRIUS library.

Typedefs
using	sirius::Flm = Spheric_function< function_domain_t::spectral, double >
using	sirius::Ftp = Spheric_function< function_domain_t::spatial, double >

Functions
template<typename T >
auto	sirius::operator* (Spheric_function< function_domain_t::spatial, T > const &a__, Spheric_function< function_domain_t::spatial, T > const &b__)
	Multiplication of two functions in spatial domain. More...
auto	sirius::operator* (Spheric_vector_function< function_domain_t::spatial, double > const &f, Spheric_vector_function< function_domain_t::spatial, double > const &g)
	Dot product of two gradiensts of real functions in spatial domain. More...
template<function_domain_t domain_t, typename T >
auto	sirius::operator+ (Spheric_function< domain_t, T > const &a__, Spheric_function< domain_t, T > const &b__)
	Summation of two functions. More...
template<function_domain_t domain_t, typename T >
auto	sirius::operator- (Spheric_function< domain_t, T > const &a__, Spheric_function< domain_t, T > const &b__)
	Subtraction of functions. More...
template<function_domain_t domain_t, typename T >
auto	sirius::operator* (T a__, Spheric_function< domain_t, T > const &b__)
	Multiply function by a scalar. More...
template<function_domain_t domain_t, typename T >
auto	sirius::operator* (Spheric_function< domain_t, T > const &b__, T a__)
	Multiply function by a scalar (inverse order). More...
template<function_domain_t domain_t, typename T >
auto	sirius::inner (Spheric_function< domain_t, T > const &f1, Spheric_function< domain_t, T > const &f2)
	Inner product of two spherical functions. More...
template<typename T >
auto	sirius::laplacian (Spheric_function< function_domain_t::spectral, T > const &f__)
	Compute Laplacian of the spheric function. More...
void	sirius::convert (Spheric_function< function_domain_t::spectral, std::complex< double > > const &f__, Spheric_function< function_domain_t::spectral, double > &g__)
	Convert from Ylm to Rlm representation. More...
auto	sirius::convert (Spheric_function< function_domain_t::spectral, std::complex< double > > const &f__)
	Convert from Ylm to Rlm representation. More...
void	sirius::convert (Spheric_function< function_domain_t::spectral, double > const &f__, Spheric_function< function_domain_t::spectral, std::complex< double > > &g__)
	Convert from Rlm to Ylm representation. More...
auto	sirius::convert (Spheric_function< function_domain_t::spectral, double > const &f__)
	Convert from Rlm to Ylm representation. More...
template<typename T >
void	sirius::transform (SHT const &sht__, Spheric_function< function_domain_t::spectral, T > const &f__, Spheric_function< function_domain_t::spatial, T > &g__)
template<typename T >
auto	sirius::transform (SHT const &sht__, Spheric_function< function_domain_t::spectral, T > const &f__)
	Transform to spatial domain (to r, \theta, \phi coordinates). More...
template<typename T >
void	sirius::transform (SHT const &sht__, Spheric_function< function_domain_t::spatial, T > const &f__, Spheric_function< function_domain_t::spectral, T > &g__)
template<typename T >
auto	sirius::transform (SHT const &sht__, Spheric_function< function_domain_t::spatial, T > const &f__)
	Transform to spectral domain. More...
auto	sirius::gradient (Spheric_function< function_domain_t::spectral, std::complex< double > > const &f)
	Gradient of the function in complex spherical harmonics. More...
auto	sirius::gradient (Spheric_function< function_domain_t::spectral, double > const &f__)
	Gradient of the function in real spherical harmonics. More...
auto	sirius::divergence (Spheric_vector_function< function_domain_t::spectral, std::complex< double > > const &vf__)
	Divergence of the vector function in complex spherical harmonics. More...
auto	sirius::divergence (Spheric_vector_function< function_domain_t::spectral, double > const &vf)

Detailed Description

Contains declaration and implementation of sirius::Spheric_function and sirius::Spheric_function_gradient classes.

Definition in file spheric_function.hpp.