Function in spherical harmonics or spherical coordinates representation. More...
#include <spheric_function.hpp>
Inherits sirius::sddk::mdarray< std::complex< double >, 2 >.
Public Member Functions | |
| Spheric_function () | |
| Constructor of the empty function. More... | |
| Spheric_function (int angular_domain_size__, Radial_grid< double > const &radial_grid__) | |
| Constructor. More... | |
| Spheric_function (T *ptr__, int angular_domain_size__, Radial_grid< double > const &radial_grid__) | |
| Constructor. More... | |
| Spheric_function (sddk::memory_pool &mp__, int angular_domain_size__, Radial_grid< double > const &radial_grid__) | |
| Constructor. More... | |
| Spheric_function (Spheric_function< domain_t, T > &&src__) | |
| Move constructor. More... | |
| Spheric_function< domain_t, T > & | operator= (Spheric_function< domain_t, T > &&src__) |
| Move asigment operator. More... | |
| Spheric_function< domain_t, T > & | operator+= (Spheric_function< domain_t, T > const &rhs__) |
| Spheric_function< domain_t, T > & | operator+= (Spheric_function< domain_t, T > &&rhs__) |
| Spheric_function< domain_t, T > & | operator-= (Spheric_function< domain_t, T > const &rhs__) |
| Spheric_function< domain_t, T > & | operator-= (Spheric_function< domain_t, T > &&rhs__) |
| Spheric_function< domain_t, T > & | operator*= (double alpha__) |
| Multiply by a constant. More... | |
| int | angular_domain_size () const |
| auto const & | radial_grid () const |
| auto | component (int lm__) const |
| T | value (double theta__, double phi__, int jr__, double dr__) const |
 Public Member Functions inherited from sirius::sddk::mdarray< std::complex< double >, 2 > | |
| mdarray () | |
| Default constructor. More... | |
| mdarray (std::array< mdarray_index_descriptor, N > const dims__, memory_t memory__=memory_t::host, std::string label__="") | |
| N-dimensional array with index bounds. More... | |
| mdarray (mdarray_index_descriptor const &d0, memory_t memory__=memory_t::host, std::string label__="") | |
| 1D array with memory allocation. More... | |
| mdarray (mdarray_index_descriptor const &d0, memory_pool &mp__, std::string label__="") | |
| 1D array with memory pool allocation. More... | |
| mdarray (std::complex< double > *ptr__, mdarray_index_descriptor const &d0, std::string label__="") | |
| 1D array with host pointer wrapper. More... | |
| mdarray (std::complex< double > *ptr__, std::complex< double > *ptr_device__, mdarray_index_descriptor const &d0, std::string label__="") | |
| 1D array with host and device pointer wrapper. More... | |
| mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, memory_t memory__=memory_t::host, std::string label__="") | |
| 2D array with memory allocation. More... | |
| mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, memory_t memory__=memory_t::host, std::string label__="") | |
| 3D array with memory allocation. More... | |
| mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, memory_t memory__=memory_t::host, std::string label__="") | |
| 4D array with memory allocation. More... | |
| mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, mdarray_index_descriptor const &d4, memory_t memory__=memory_t::host, std::string label__="") | |
| 5D array with memory allocation. More... | |
| mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, mdarray_index_descriptor const &d4, mdarray_index_descriptor const &d5, memory_t memory__=memory_t::host, std::string label__="") | |
| 6D array with memory allocation. More... | |
| mdarray (std::complex< double > *ptr__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, std::string label__="") | |
| Wrap a pointer into 2D array. More... | |
| mdarray (std::complex< double > *ptr__, std::complex< double > *ptr_device__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, std::string label__="") | |
| mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, memory_pool &mp__, std::string label__="") | |
| 2D array with memory pool allocation. More... | |
| mdarray (std::complex< double > *ptr__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, std::string label__="") | |
| mdarray (std::complex< double > *ptr__, std::complex< double > *ptr_device__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, std::string label__="") | |
| mdarray (mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, memory_pool &mp__, std::string label__="") | |
| 3D array with memory pool allocation. More... | |
| mdarray (std::complex< double > *ptr__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, std::string label__="") | |
| mdarray (std::complex< double > *ptr__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, mdarray_index_descriptor const &d4, std::string label__="") | |
| mdarray (std::complex< double > *ptr__, mdarray_index_descriptor const &d0, mdarray_index_descriptor const &d1, mdarray_index_descriptor const &d2, mdarray_index_descriptor const &d3, mdarray_index_descriptor const &d4, mdarray_index_descriptor const &d5, std::string label__="") | |
| mdarray (mdarray< std::complex< double >, N > &&src) | |
| Move constructor. More... | |
| mdarray< std::complex< double >, N > & | operator= (mdarray< std::complex< double >, N > &&src) |
| Move assignment operator. More... | |
| mdarray< std::complex< double >, N > & | operator= (std::function< std::complex< double >(void)> f__) |
| mdarray< std::complex< double >, N > & | operator= (std::function< std::complex< double >(index_type)> f__) |
| mdarray< std::complex< double >, N > & | operator= (std::function< std::complex< double >(index_type, index_type)> f__) |
| ~mdarray () | |
| Destructor. More... | |
| mdarray< std::complex< double >, N > & | allocate (memory_t memory__) |
| Allocate memory for array. More... | |
| mdarray< std::complex< double >, N > & | allocate (memory_pool &mp__) |
| Allocate memory from the pool. More... | |
| void | deallocate (memory_t memory__) |
| Deallocate host or device memory. More... | |
| std::complex< double > const & | operator() (Args... args) const |
| Access operator() for the elements of multidimensional array. More... | |
| std::complex< double > & | operator() (Args... args) |
| Access operator() for the elements of multidimensional array. More... | |
| std::complex< double > const & | operator[] (size_t const idx__) const |
| Access operator[] for the elements of multidimensional array using a linear index in the range [0, size). More... | |
| std::complex< double > & | operator[] (size_t const idx__) |
| Access operator[] for the elements of multidimensional array using a linear index in the range [0, size). More... | |
| std::complex< double > const * | at (memory_t mem__, Args... args) const |
| std::complex< double > * | at (memory_t mem__, Args... args) |
| std::complex< double > const * | at (memory_t mem__) const |
| Return pointer to the beginning of array. More... | |
| std::complex< double > * | at (memory_t mem__) |
| Return pointer to the beginning of array. More... | |
| std::complex< double > * | host_data () |
| const std::complex< double > * | host_data () const |
| std::complex< double > * | device_data () |
| const std::complex< double > * | device_data () const |
| size_t | size () const |
| Return total size (number of elements) of the array. More... | |
| size_t | size (int i) const |
| Return size of particular dimension. More... | |
| mdarray_index_descriptor | dim (int i) const |
| Return a descriptor of a dimension. More... | |
| uint32_t | ld () const |
| Return leading dimension size. More... | |
| uint64_t | hash (uint64_t h__=5381) const |
| Compute hash of the array. More... | |
| std::complex< double > | checksum_w (size_t idx0__, size_t size__) const |
| Compute weighted checksum. More... | |
| std::complex< double > | checksum (size_t idx0__, size_t size__) const |
| Compute checksum. More... | |
| std::complex< double > | checksum () const |
| std::complex< double > * | begin () |
| std::complex< double > const * | begin () const |
| std::complex< double > * | end () |
| std::complex< double > const * | end () const |
| void | zero (memory_t mem__, size_t idx0__, size_t n__) |
| Zero n elements starting from idx0. More... | |
| void | zero (memory_t mem__=memory_t::host) |
| Zero the entire array. More... | |
| void | copy_to (memory_t mem__, size_t idx0__, size_t n__, acc::stream_id sid=acc::stream_id(-1)) |
| Copy n elements starting from idx0 from one memory type to another. More... | |
| void | copy_to (memory_t mem__, acc::stream_id sid=acc::stream_id(-1)) |
| Copy entire array from one memory type to another. More... | |
| bool | on_device () const |
| Check if device pointer is available. More... | |
| auto | label () const |
| bool | on_host () const |
Private Member Functions | |
| Spheric_function (Spheric_function< domain_t, T > const &src__)=delete | |
| Spheric_function< domain_t, T > & | operator= (Spheric_function< domain_t, T > const &src__)=delete |
Private Attributes | |
| Radial_grid< double > const * | radial_grid_ {nullptr} |
| Radial grid. More... | |
| int | angular_domain_size_ |
| Size of the angular domain. More... | |
Additional Inherited Members | |
| Public Types inherited from sirius::sddk::mdarray< std::complex< double >, 2 > | |
| using | index_type = mdarray_index_descriptor::index_type |
Detailed Description
template<function_domain_t domain_t, typename T = std::complex<double>>
class sirius::Spheric_function< domain_t, T >
class sirius::Spheric_function< domain_t, T >
Function in spherical harmonics or spherical coordinates representation.
This class works in conjugation with SHT class which provides the transformation between spherical harmonics and spherical coordinates and also a conversion between real and complex spherical harmonics.
Definition at line 43 of file spheric_function.hpp.
Constructor & Destructor Documentation
◆ Spheric_function() [1/5]
template<function_domain_t domain_t, typename T = std::complex<double>>
|
inline |
Constructor of the empty function.
Definition at line 63 of file spheric_function.hpp.
◆ Spheric_function() [2/5]
template<function_domain_t domain_t, typename T = std::complex<double>>
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inline |
Constructor.
Definition at line 68 of file spheric_function.hpp.
◆ Spheric_function() [3/5]
template<function_domain_t domain_t, typename T = std::complex<double>>
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inline |
Constructor.
Definition at line 76 of file spheric_function.hpp.
◆ Spheric_function() [4/5]
template<function_domain_t domain_t, typename T = std::complex<double>>
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inline |
Constructor.
Definition at line 84 of file spheric_function.hpp.
◆ Spheric_function() [5/5]
template<function_domain_t domain_t, typename T = std::complex<double>>
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inline |
Move constructor.
Definition at line 92 of file spheric_function.hpp.
Member Function Documentation
◆ operator=()
template<function_domain_t domain_t, typename T = std::complex<double>>
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inline |
Move asigment operator.
Definition at line 100 of file spheric_function.hpp.
◆ operator+=() [1/2]
template<function_domain_t domain_t, typename T = std::complex<double>>
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inline |
Definition at line 110 of file spheric_function.hpp.
◆ operator+=() [2/2]
template<function_domain_t domain_t, typename T = std::complex<double>>
|
inline |
Definition at line 120 of file spheric_function.hpp.
◆ operator-=() [1/2]
template<function_domain_t domain_t, typename T = std::complex<double>>
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inline |
Definition at line 131 of file spheric_function.hpp.
◆ operator-=() [2/2]
template<function_domain_t domain_t, typename T = std::complex<double>>
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inline |
Definition at line 141 of file spheric_function.hpp.
◆ operator*=()
template<function_domain_t domain_t, typename T = std::complex<double>>
|
inline |
Multiply by a constant.
Definition at line 152 of file spheric_function.hpp.
◆ angular_domain_size()
template<function_domain_t domain_t, typename T = std::complex<double>>
|
inline |
Definition at line 163 of file spheric_function.hpp.
◆ radial_grid()
template<function_domain_t domain_t, typename T = std::complex<double>>
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inline |
Definition at line 168 of file spheric_function.hpp.
◆ component()
template<function_domain_t domain_t, typename T = std::complex<double>>
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inline |
Definition at line 174 of file spheric_function.hpp.
◆ value()
template<function_domain_t domain_t, typename T = std::complex<double>>
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inline |
Definition at line 188 of file spheric_function.hpp.
Member Data Documentation
◆ radial_grid_
template<function_domain_t domain_t, typename T = std::complex<double>>
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private |
Radial grid.
Definition at line 48 of file spheric_function.hpp.
◆ angular_domain_size_
template<function_domain_t domain_t, typename T = std::complex<double>>
|
private |
Size of the angular domain.
This is either a total number of spherical harmonics or a number of (theta, phi) anles covering the sphere.
Definition at line 52 of file spheric_function.hpp.
The documentation for this class was generated from the following file:
