Store all callback functions in one place. More...

#include <simulation_context.hpp>

Public Attributes
std::function< void(int, double, double *, int)>	beta_ri_ {nullptr}
	Callback function provided by the host code to compute radial integrals of beta projectors. More...

std::function< void(int, double, double *, int)>	beta_ri_djl_ {nullptr}

std::function< void(int, double, double *, int, int)>	aug_ri_ {nullptr}
	Callback function provided by the host code to compute radial integrals of augmentation operator. More...

std::function< void(int, double, double *, int, int)>	aug_ri_djl_ {nullptr}

std::function< void(int, int, double , double )>	rhoc_ri_ {nullptr}
	Callback function provided by the host code to compute radial integrals of pseudo core charge density. More...

std::function< void(int, int, double , double )>	rhoc_ri_djl_ {nullptr}

std::function< void(int, int, double , double )>	ps_rho_ri_ {nullptr}
	Callback function provided by the host code to compute radial integrals of pseudo charge density. More...

std::function< void(int, double, double *, int)>	ps_atomic_wf_ri_ {nullptr}
	Callback function provided by the host code to compute radial integrals of pseudo atomic wave-functions. More...

std::function< void(int, double, double *, int)>	ps_atomic_wf_ri_djl_ {nullptr}

std::function< void(int, int, double , double )>	vloc_ri_ {nullptr}
	Callback function to compute radial integrals of local potential. More...

std::function< void(int, int, double , double )>	vloc_ri_djl_ {nullptr}
	Callback function to compute radial integrals of local potential with derivatives of spherical Bessel functions. More...

std::function< void(void)>	band_occ_ {nullptr}
	Callback function to compute band occupancies. More...

std::function< void(void)>	veff_ {nullptr}
	Callback function to compute effective potential. More...

Detailed Description

Store all callback functions in one place.

Definition at line 93 of file simulation_context.hpp.

Member Data Documentation

◆ beta_ri_

std::function<void(int, double, double*, int)> sirius::callback_functions_t::beta_ri_ {nullptr}

Callback function provided by the host code to compute radial integrals of beta projectors.

Definition at line 96 of file simulation_context.hpp.

◆ beta_ri_djl_

std::function<void(int, double, double*, int)> sirius::callback_functions_t::beta_ri_djl_ {nullptr}

Callback function provided by the host code to compute radial integrals of beta projectors with derivatives of spherical Bessel functions.

Definition at line 100 of file simulation_context.hpp.

◆ aug_ri_

std::function<void(int, double, double*, int, int)> sirius::callback_functions_t::aug_ri_ {nullptr}

Callback function provided by the host code to compute radial integrals of augmentation operator.

Definition at line 103 of file simulation_context.hpp.

◆ aug_ri_djl_

std::function<void(int, double, double*, int, int)> sirius::callback_functions_t::aug_ri_djl_ {nullptr}

Callback function provided by the host code to compute radial integrals of augmentation operator with derivatives of spherical Bessel functions.

Definition at line 107 of file simulation_context.hpp.

◆ rhoc_ri_

std::function<void(int, int, double*, double*)> sirius::callback_functions_t::rhoc_ri_ {nullptr}

Callback function provided by the host code to compute radial integrals of pseudo core charge density.

Definition at line 110 of file simulation_context.hpp.

◆ rhoc_ri_djl_

std::function<void(int, int, double*, double*)> sirius::callback_functions_t::rhoc_ri_djl_ {nullptr}

Callback function provided by the host code to compute radial integrals of pseudo core charge density with derivatives of spherical Bessel functions.

Definition at line 114 of file simulation_context.hpp.

◆ ps_rho_ri_

std::function<void(int, int, double*, double*)> sirius::callback_functions_t::ps_rho_ri_ {nullptr}

Callback function provided by the host code to compute radial integrals of pseudo charge density.

Definition at line 117 of file simulation_context.hpp.

◆ ps_atomic_wf_ri_

std::function<void(int, double, double*, int)> sirius::callback_functions_t::ps_atomic_wf_ri_ {nullptr}

Callback function provided by the host code to compute radial integrals of pseudo atomic wave-functions.

Definition at line 120 of file simulation_context.hpp.

◆ ps_atomic_wf_ri_djl_

std::function<void(int, double, double*, int)> sirius::callback_functions_t::ps_atomic_wf_ri_djl_ {nullptr}

Callback function provided by the host code to compute radial integrals of pseudo atomic wave-functions with derivatives of spherical Bessel functions.

Definition at line 124 of file simulation_context.hpp.

◆ vloc_ri_

std::function<void(int, int, double*, double*)> sirius::callback_functions_t::vloc_ri_ {nullptr}

Callback function to compute radial integrals of local potential.

Definition at line 127 of file simulation_context.hpp.

◆ vloc_ri_djl_

std::function<void(int, int, double*, double*)> sirius::callback_functions_t::vloc_ri_djl_ {nullptr}

Callback function to compute radial integrals of local potential with derivatives of spherical Bessel functions.

Definition at line 130 of file simulation_context.hpp.

◆ band_occ_

std::function<void(void)> sirius::callback_functions_t::band_occ_ {nullptr}

Callback function to compute band occupancies.

Definition at line 133 of file simulation_context.hpp.

◆ veff_

std::function<void(void)> sirius::callback_functions_t::veff_ {nullptr}

Callback function to compute effective potential.

Definition at line 136 of file simulation_context.hpp.

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

simulation_context.hpp

Public Attributes