non_local_operator.hpp File Reference

Contains declaration of sirius::Non_local_operator class. More...

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Classes
class	sirius::D_operator< T >
class	sirius::Q_operator< T >
class	sirius::U_operator< T >

Namespaces
module	sirius
	Namespace of the SIRIUS library.

Functions
template<typename T , typename F >
void	sirius::apply_non_local_D_Q (sddk::memory_t mem__, wf::spin_range spins__, wf::band_range br__, Beta_projector_generator< T > &beta__, beta_projectors_coeffs_t< T > &beta_coeffs__, wf::Wave_functions< T > const &phi__, D_operator< T > const *d_op__, wf::Wave_functions< T > *hphi__, Q_operator< T > const *q_op__, wf::Wave_functions< T > *sphi__)
template<typename T , typename F >
void	sirius::apply_S_operator (sddk::memory_t mem__, wf::spin_range spins__, wf::band_range br__, Beta_projector_generator< T > &beta__, beta_projectors_coeffs_t< T > &beta_coeffs__, wf::Wave_functions< T > const &phi__, Q_operator< T > const *q_op__, wf::Wave_functions< T > &sphi__)
	Compute |sphi> = (1 + Q)|phi> More...
template<typename T >
void	sirius::apply_U_operator (Simulation_context &ctx__, wf::spin_range spins__, wf::band_range br__, wf::Wave_functions< T > const &hub_wf__, wf::Wave_functions< T > const &phi__, U_operator< T > const &um__, wf::Wave_functions< T > &hphi__)
void	sirius::apply_S_operator_strain_deriv (sddk::memory_t mem__, int comp__, Beta_projector_generator< double > &bp__, beta_projectors_coeffs_t< double > &bp_coeffs__, Beta_projector_generator< double > &bp_strain_deriv__, beta_projectors_coeffs_t< double > &bp_strain_deriv_coeffs__, wf::Wave_functions< double > &phi__, Q_operator< double > &q_op__, wf::Wave_functions< double > &ds_phi__)
	Apply strain derivative of S-operator to all scalar functions. More...

Detailed Description

Contains declaration of sirius::Non_local_operator class.

Definition in file non_local_operator.hpp.