SIRIUS 7.5.0
Electronic structure library and applications
Public Member Functions | Private Member Functions | List of all members
sirius::Beta_projectors_strain_deriv< T > Class Template Reference

Inherits sirius::Beta_projectors_base< T >.

Public Member Functions

 Beta_projectors_strain_deriv (Simulation_context &ctx__, fft::Gvec const &gkvec__)
 
- Public Member Functions inherited from sirius::Beta_projectors_base< T >
 Beta_projectors_base (Simulation_context &ctx__, fft::Gvec const &gkvec__, int N__)
 
Beta_projector_generator< T > make_generator () const
 
Beta_projector_generator< T > make_generator (sddk::device_t pu) const
 
Beta_projector_generator< T > make_generator (sddk::memory_t mem) const
 
auto const & ctx () const
 
auto num_gkvec_loc () const
 
int num_total_beta () const
 
int num_comp () const
 
auto const & unit_cell () const
 
auto & pw_coeffs_t (int ig__, int n__, int j__)
 
auto pw_coeffs_t (int j__)
 
auto const & pw_coeffs_a () const
 
int num_beta_t () const
 
int num_chunks () const
 
int max_num_beta () const
 
int nrows () const
 
const mpi::Communicatorcomm () const
 

Private Member Functions

void generate_pw_coefs_t ()
 

Additional Inherited Members

- Protected Member Functions inherited from sirius::Beta_projectors_base< T >
void split_in_chunks ()
 Split beta-projectors into chunks. More...
 
- Protected Attributes inherited from sirius::Beta_projectors_base< T >
Simulation_contextctx_
 
fft::Gvec const & gkvec_
 List of G+k vectors. More...
 
sddk::mdarray< double, 2 > gkvec_coord_
 Coordinates of G+k vectors used by GPU kernel. More...
 
int N_
 Number of different components: 1 for beta-projectors, 3 for gradient, 9 for strain derivatives. More...
 
sddk::mdarray< std::complex< T >, 3 > pw_coeffs_t_
 Phase-factor independent coefficients of |beta> functions for atom types. More...
 
bool reallocate_pw_coeffs_t_on_gpu_ {true}
 
sddk::matrix< std::complex< T > > pw_coeffs_a_
 Set of beta PW coefficients for a chunk of atoms. More...
 
sddk::matrix< std::complex< T > > beta_pw_all_atoms_
 Set of beta PW coefficients for all atoms. More...
 
std::vector< beta_chunk_tbeta_chunks_
 
int max_num_beta_
 
int num_total_beta_
 total number of beta-projectors (=number of columns) More...
 
int num_beta_t_
 Total number of beta-projectors among atom types. More...
 

Detailed Description

template<typename T>
class sirius::Beta_projectors_strain_deriv< T >

Definition at line 33 of file beta_projectors_strain_deriv.hpp.

Constructor & Destructor Documentation

◆ Beta_projectors_strain_deriv()

template<typename T >
sirius::Beta_projectors_strain_deriv< T >::Beta_projectors_strain_deriv ( Simulation_context ctx__,
fft::Gvec const &  gkvec__ 
)
inline

Definition at line 122 of file beta_projectors_strain_deriv.hpp.

Member Function Documentation

◆ generate_pw_coefs_t()

template<typename T >
void sirius::Beta_projectors_strain_deriv< T >::generate_pw_coefs_t ( )
inlineprivate

Definition at line 37 of file beta_projectors_strain_deriv.hpp.


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