Inherits sirius::Non_local_operator< T >.
Public Member Functions | |
| Q_operator (Simulation_context const &ctx__) | |
 Public Member Functions inherited from sirius::Non_local_operator< T > | |
| Non_local_operator (Simulation_context const &ctx__) | |
| Constructor. More... | |
| template<typename F > | |
| void | apply (sddk::memory_t mem__, int chunk__, int ispn_block__, wf::Wave_functions< T > &op_phi__, wf::band_range br__, beta_projectors_coeffs_t< T > const &beta_coeffs__, sddk::matrix< F > const &beta_phi__) const |
| Apply chunk of beta-projectors to all wave functions. More... | |
| template<typename F > | |
| std::enable_if_t< std::is_same< std::complex< T >, F >::value, void > | apply (sddk::memory_t mem__, int chunk__, atom_index_t::local ia__, int ispn_block__, wf::Wave_functions< T > &op_phi__, wf::band_range br__, beta_projectors_coeffs_t< T > const &beta_coeffs__, sddk::matrix< F > &beta_phi__) |
| Apply beta projectors from one atom in a chunk of beta projectors to all wave-functions. More... | |
| template<typename F > | |
| void | lmatmul (sddk::matrix< F > &out, sddk::matrix< F > const &B__, int ispn_block__, sddk::memory_t mem_t, identity_t< F > alpha=F{1}, identity_t< F > beta=F{0}) const |
| computes α B*Q + β out More... | |
| template<typename F > | |
| void | rmatmul (sddk::matrix< F > &out, sddk::matrix< F > const &B__, int ispn_block__, sddk::memory_t mem_t, identity_t< F > alpha=F{1}, identity_t< F > beta=F{0}) const |
| computes α Q*B + β out More... | |
| template<typename F , typename = std::enable_if_t<std::is_same<T, real_type<F>>::value>> | |
| F | value (int xi1__, int xi2__, int ia__) |
| template<typename F , std::enable_if_t< std::is_same< T, F >::value, bool > = true> | |
| F | value (int xi1__, int xi2__, int ispn__, int ia__) |
| template<typename F , std::enable_if_t< std::is_same< std::complex< T >, F >::value, bool > = true> | |
| F | value (int xi1__, int xi2__, int ispn__, int ia__) |
| int | size (int i) const |
| bool | is_diag () const |
| template<typename F > | |
| sddk::matrix< F > | get_matrix (int ispn, sddk::memory_t mem) const |
Private Member Functions | |
| void | initialize () |
Additional Inherited Members | |
| Protected Member Functions inherited from sirius::Non_local_operator< T > | |
| Non_local_operator< T > & | operator= (Non_local_operator< T > const &src)=delete |
| Non_local_operator (Non_local_operator< T > const &src)=delete | |
| Protected Attributes inherited from sirius::Non_local_operator< T > | |
| Simulation_context const & | ctx_ |
| sddk::device_t | pu_ |
| int | packed_mtrx_size_ |
| int | size_ |
| sddk::mdarray< int, 1 > | packed_mtrx_offset_ |
| sddk::mdarray< T, 3 > | op_ |
| Non-local operator matrix. More... | |
| bool | is_null_ {false} |
| bool | is_diag_ {true} |
| True if the operator is diagonal in spin. More... | |
Detailed Description
template<typename T>
class sirius::Q_operator< T >
class sirius::Q_operator< T >
Definition at line 53 of file non_local_operator.hpp.
Constructor & Destructor Documentation
◆ Q_operator()
template<typename T >
| sirius::Q_operator< T >::Q_operator | ( | Simulation_context const & | ctx__ | ) |
Definition at line 242 of file non_local_operator.cpp.
Member Function Documentation
◆ initialize()
template<typename T >
|
private |
Definition at line 258 of file non_local_operator.cpp.
The documentation for this class was generated from the following files:
