Store all radial integrals in one place. More...

#include <simulation_context.hpp>

Public Attributes
std::unique_ptr< Radial_integrals_beta< false > >	beta_
	Radial integrals of beta-projectors. More...

std::unique_ptr< Radial_integrals_beta< true > >	beta_djl_
	Radial integrals of beta-projectors with derivatives of spherical Bessel functions. More...

std::unique_ptr< Radial_integrals_aug< false > >	aug_
	Radial integrals of augmentation operator. More...

std::unique_ptr< Radial_integrals_aug< true > >	aug_djl_
	Radial integrals of augmentation operator with derivatives of spherical Bessel functions. More...

std::unique_ptr< Radial_integrals_atomic_wf< false > >	ps_atomic_wf_
	Radial integrals of atomic wave-functions. More...

std::unique_ptr< Radial_integrals_atomic_wf< true > >	ps_atomic_wf_djl_
	Radial integrals of atomic wave-functions with derivatives of spherical Bessel functions. More...

std::unique_ptr< Radial_integrals_rho_core_pseudo< false > >	ps_core_
	Radial integrals of pseudo-core charge density. More...

std::unique_ptr< Radial_integrals_rho_core_pseudo< true > >	ps_core_djl_
	Radial integrals of pseudo-core charge density with derivatives of spherical Bessel functions. More...

std::unique_ptr< Radial_integrals_rho_pseudo >	ps_rho_
	Radial integrals of total pseudo-charge density. More...

std::unique_ptr< Radial_integrals_vloc< false > >	vloc_
	Radial integrals of the local part of pseudopotential. More...

std::unique_ptr< Radial_integrals_vloc< true > >	vloc_djl_
	Radial integrals of the local part of pseudopotential with derivatives of spherical Bessel functions. More...

Detailed Description

Store all radial integrals in one place.

Definition at line 140 of file simulation_context.hpp.

Member Data Documentation

◆ beta_

std::unique_ptr<Radial_integrals_beta<false> > sirius::radial_integrals_t::beta_

Radial integrals of beta-projectors.

Definition at line 143 of file simulation_context.hpp.

◆ beta_djl_

std::unique_ptr<Radial_integrals_beta<true> > sirius::radial_integrals_t::beta_djl_

Radial integrals of beta-projectors with derivatives of spherical Bessel functions.

Definition at line 146 of file simulation_context.hpp.

◆ aug_

std::unique_ptr<Radial_integrals_aug<false> > sirius::radial_integrals_t::aug_

Radial integrals of augmentation operator.

Definition at line 149 of file simulation_context.hpp.

◆ aug_djl_

std::unique_ptr<Radial_integrals_aug<true> > sirius::radial_integrals_t::aug_djl_

Radial integrals of augmentation operator with derivatives of spherical Bessel functions.

Definition at line 152 of file simulation_context.hpp.

◆ ps_atomic_wf_

std::unique_ptr<Radial_integrals_atomic_wf<false> > sirius::radial_integrals_t::ps_atomic_wf_

Radial integrals of atomic wave-functions.

Definition at line 155 of file simulation_context.hpp.

◆ ps_atomic_wf_djl_

std::unique_ptr<Radial_integrals_atomic_wf<true> > sirius::radial_integrals_t::ps_atomic_wf_djl_

Radial integrals of atomic wave-functions with derivatives of spherical Bessel functions.

Definition at line 158 of file simulation_context.hpp.

◆ ps_core_

std::unique_ptr<Radial_integrals_rho_core_pseudo<false> > sirius::radial_integrals_t::ps_core_

Radial integrals of pseudo-core charge density.

Definition at line 161 of file simulation_context.hpp.

◆ ps_core_djl_

std::unique_ptr<Radial_integrals_rho_core_pseudo<true> > sirius::radial_integrals_t::ps_core_djl_

Radial integrals of pseudo-core charge density with derivatives of spherical Bessel functions.

Definition at line 164 of file simulation_context.hpp.

◆ ps_rho_

std::unique_ptr<Radial_integrals_rho_pseudo> sirius::radial_integrals_t::ps_rho_

Radial integrals of total pseudo-charge density.

Definition at line 167 of file simulation_context.hpp.

◆ vloc_

std::unique_ptr<Radial_integrals_vloc<false> > sirius::radial_integrals_t::vloc_

Radial integrals of the local part of pseudopotential.

Definition at line 170 of file simulation_context.hpp.

◆ vloc_djl_

std::unique_ptr<Radial_integrals_vloc<true> > sirius::radial_integrals_t::vloc_djl_

Radial integrals of the local part of pseudopotential with derivatives of spherical Bessel functions.

Definition at line 173 of file simulation_context.hpp.

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

simulation_context.hpp

Public Attributes