residuals.hpp File Reference

Compute residuals from the eigen-vectors and basis functions. More...

Go to the source code of this file.

Classes
struct	residual_result_t
struct	normalized_preconditioned_residuals_result< T >

Namespaces
module	sirius
	Namespace of the SIRIUS library.

Functions
void	compute_residuals_gpu_double (std::complex< double > const *hpsi__, std::complex< double > const *opsi__, std::complex< double > *res__, int num_gvec_loc__, int num_bands__, double const *eval__)
void	compute_residuals_gpu_float (std::complex< float > const *hpsi__, std::complex< float > const *opsi__, std::complex< float > *res__, int num_gvec_loc__, int num_bands__, float const *eval__)
void	apply_preconditioner_gpu_double (std::complex< double > *res__, int num_rows_loc__, int num_bands__, double const *eval__, const double *h_diag__, const double *o_diag__)
void	apply_preconditioner_gpu_float (std::complex< float > *res__, int num_rows_loc__, int num_bands__, float const *eval__, const float *h_diag__, const float *o_diag__)
void	make_real_g0_gpu_double (std::complex< double > *res__, int ld__, int n__)
void	make_real_g0_gpu_float (std::complex< float > *res__, int ld__, int n__)
void	compute_residuals_gpu (std::complex< double > const *hpsi__, std::complex< double > const *opsi__, std::complex< double > *res__, int num_gvec_loc__, int num_bands__, double const *eval__)
void	compute_residuals_gpu (std::complex< float > const *hpsi__, std::complex< float > const *opsi__, std::complex< float > *res__, int num_gvec_loc__, int num_bands__, float const *eval__)
void	apply_preconditioner_gpu (std::complex< double > *res__, int num_rows_loc__, int num_bands__, double const *eval__, double const *h_diag__, double const *o_diag__)
void	apply_preconditioner_gpu (std::complex< float > *res__, int num_rows_loc__, int num_bands__, float const *eval__, const float *h_diag__, const float *o_diag__)
void	make_real_g0_gpu (std::complex< double > *res__, int ld__, int n__)
void	make_real_g0_gpu (std::complex< float > *res__, int ld__, int n__)
template<typename T >
static void	sirius::compute_residuals (sddk::memory_t mem__, wf::spin_range spins__, wf::num_bands num_bands__, sddk::mdarray< T, 1 > const &eval__, wf::Wave_functions< T > const &hpsi__, wf::Wave_functions< T > const &opsi__, wf::Wave_functions< T > &res__)
	Compute band residuals. More...
template<typename T >
void	sirius::apply_preconditioner (sddk::memory_t mem__, wf::spin_range spins__, wf::num_bands num_bands__, wf::Wave_functions< T > &res__, sddk::mdarray< T, 2 > const &h_diag__, sddk::mdarray< T, 2 > const &o_diag__, sddk::mdarray< T, 1 > const &eval__)
	Apply preconditioner to the residuals. More...
template<typename T , typename F >
static auto	sirius::normalized_preconditioned_residuals (sddk::memory_t mem__, wf::spin_range spins__, wf::num_bands num_bands__, sddk::mdarray< T, 1 > const &eval__, wf::Wave_functions< T > const &hpsi__, wf::Wave_functions< T > const &opsi__, wf::Wave_functions< T > &res__, sddk::mdarray< T, 2 > const &h_diag__, sddk::mdarray< T, 2 > const &o_diag__, T norm_tolerance__, bool gamma__)
template<typename T , typename F >
auto	sirius::residuals (Simulation_context &ctx__, sddk::memory_t mem__, wf::spin_range sr__, int N__, int num_bands__, int num_locked__, sddk::mdarray< real_type< F >, 1 > &eval__, la::dmatrix< F > &evec__, wf::Wave_functions< T > &hphi__, wf::Wave_functions< T > &ophi__, wf::Wave_functions< T > &hpsi__, wf::Wave_functions< T > &opsi__, wf::Wave_functions< T > &res__, sddk::mdarray< T, 2 > const &h_diag__, sddk::mdarray< T, 2 > const &o_diag__, bool estimate_eval__, T norm_tolerance__, std::function< bool(int, int)> is_converged__)
	Compute residuals from eigen-vectors. More...

Detailed Description

Compute residuals from the eigen-vectors and basis functions.

Definition in file residuals.hpp.

Function Documentation

compute_residuals_gpu() [1/2]

void compute_residuals_gpu ( std::complex< double > const *  hpsi__, std::complex< double > const *  opsi__, std::complex< double > *  res__, int  num_gvec_loc__, int  num_bands__, double const *  eval__  )

inline

Definition at line 82 of file residuals.hpp.

compute_residuals_gpu() [2/2]

void compute_residuals_gpu ( std::complex< float > const *  hpsi__, std::complex< float > const *  opsi__, std::complex< float > *  res__, int  num_gvec_loc__, int  num_bands__, float const *  eval__  )

inline

Definition at line 88 of file residuals.hpp.

apply_preconditioner_gpu() [1/2]

void apply_preconditioner_gpu ( std::complex< double > *  res__, int  num_rows_loc__, int  num_bands__, double const *  eval__, double const *  h_diag__, double const *  o_diag__  )

inline

Definition at line 94 of file residuals.hpp.

apply_preconditioner_gpu() [2/2]

void apply_preconditioner_gpu ( std::complex< float > *  res__, int  num_rows_loc__, int  num_bands__, float const *  eval__, const float *  h_diag__, const float *  o_diag__  )

inline

Definition at line 100 of file residuals.hpp.

make_real_g0_gpu() [1/2]

void make_real_g0_gpu ( std::complex< double > *  res__, int  ld__, int  n__  )

inline

Definition at line 106 of file residuals.hpp.

make_real_g0_gpu() [2/2]

void make_real_g0_gpu ( std::complex< float > *  res__, int  ld__, int  n__  )

inline

Definition at line 111 of file residuals.hpp.