CoulombScafacos Struct Reference

#include <scafacos.hpp>

Inheritance diagram for CoulombScafacos:

Collaboration diagram for CoulombScafacos:

Public Member Functions
	~CoulombScafacos () override=default
void	on_activation ()
void	on_boxl_change ()
	Recalculate all box-length-dependent parameters.
void	on_node_grid_change () const
void	on_periodicity_change ()
void	on_cell_structure_change () const
void	init () const
void	sanity_checks () const override
bool	is_tuned () const
void	tune ()
virtual double	get_r_cut () const =0
virtual double	get_pair_force (double dist) const =0
virtual double	get_pair_energy (double dist) const =0
virtual void	set_near_field_delegation (bool delegate)=0
virtual bool	get_near_field_delegation () const =0
Utils::Vector3d	pair_force (double q1q2, Utils::Vector3d const &d, double dist) const
	Calculate near-field pair force.
double	pair_energy (double q1q2, double dist) const
	Calculate near-field pair energy.
Public Member Functions inherited from ScafacosContextBase
	ScafacosContextBase ()=default
virtual	~ScafacosContextBase ()=default
virtual void	update_particle_data ()=0
	Collect particle data in continuous arrays.
virtual void	update_particle_forces () const =0
	Write forces back to particles.
virtual double	long_range_energy ()=0
	Calculate long-range part of the energy.
virtual void	add_long_range_forces ()=0
	Add long-range part of the forces to particles.
virtual void	update_system_params ()=0
	Reinitialize number of particles, box shape and periodicity.
virtual std::string	get_method () const =0
virtual std::string	get_parameters () const =0
Public Member Functions inherited from Coulomb::Actor< CoulombScafacos >
void	set_prefactor (double new_prefactor)
void	sanity_checks_charge_neutrality () const
Public Member Functions inherited from System::Leaf< Class >
void	bind_system (std::shared_ptr< System > const &system)
void	detach_system (std::shared_ptr< System > const &system)

Protected Member Functions
virtual void	tune_impl ()=0
Protected Member Functions inherited from System::Leaf< Class >
auto &	get_system ()
auto &	get_system () const

Additional Inherited Members
Static Public Member Functions inherited from ScafacosContextBase
static std::vector< std::string >	available_methods ()
static void	sanity_check_method (std::string const &method_name)
Public Attributes inherited from Coulomb::Actor< CoulombScafacos >
double	prefactor
	Electrostatics prefactor.
double	charge_neutrality_tolerance
	Relative tolerance for the charge excess during neutrality checks.
Static Public Attributes inherited from Coulomb::Actor< CoulombScafacos >
static auto constexpr	charge_neutrality_tolerance_default
Protected Attributes inherited from System::Leaf< Class >
std::weak_ptr< System >	m_system

Detailed Description

Definition at line 37 of file core/electrostatics/scafacos.hpp.

Constructor & Destructor Documentation

~CoulombScafacos()

CoulombScafacos::~CoulombScafacos ( )

overridedefault

Member Function Documentation

get_near_field_delegation()

virtual bool CoulombScafacos::get_near_field_delegation ( ) const

pure virtual

Implemented in CoulombScafacosImpl.

get_pair_energy()

virtual double CoulombScafacos::get_pair_energy ( double  dist ) const

pure virtual

Implemented in CoulombScafacosImpl.

Referenced by pair_energy().

get_pair_force()

virtual double CoulombScafacos::get_pair_force ( double  dist ) const

pure virtual

Implemented in CoulombScafacosImpl.

Referenced by pair_force().

get_r_cut()

virtual double CoulombScafacos::get_r_cut ( ) const

pure virtual

Implemented in CoulombScafacosImpl.

Referenced by pair_energy(), and pair_force().

init()

void CoulombScafacos::init ( ) const

inline

Definition at line 51 of file core/electrostatics/scafacos.hpp.

is_tuned()

bool CoulombScafacos::is_tuned ( ) const

inline

Definition at line 55 of file core/electrostatics/scafacos.hpp.

Referenced by tune().

on_activation()

void CoulombScafacos::on_activation ( )

inline

Definition at line 41 of file core/electrostatics/scafacos.hpp.

References sanity_checks(), tune(), and ScafacosContextBase::update_system_params().

on_boxl_change()

void CoulombScafacos::on_boxl_change ( )

inline

Recalculate all box-length-dependent parameters.

Definition at line 47 of file core/electrostatics/scafacos.hpp.

References ScafacosContextBase::update_system_params().

on_cell_structure_change()

void CoulombScafacos::on_cell_structure_change ( ) const

inline

Definition at line 50 of file core/electrostatics/scafacos.hpp.

on_node_grid_change()

void CoulombScafacos::on_node_grid_change ( ) const

inline

Definition at line 48 of file core/electrostatics/scafacos.hpp.

on_periodicity_change()

void CoulombScafacos::on_periodicity_change ( )

inline

Definition at line 49 of file core/electrostatics/scafacos.hpp.

References ScafacosContextBase::update_system_params().

pair_energy()

double CoulombScafacos::pair_energy ( double  q1q2, double  dist  ) const

inline

Calculate near-field pair energy.

Definition at line 77 of file core/electrostatics/scafacos.hpp.

References get_pair_energy(), get_r_cut(), Coulomb::Actor< CoulombScafacos >::prefactor, and stream.

pair_force()

Utils::Vector3d CoulombScafacos::pair_force ( double  q1q2, Utils::Vector3d const &  d, double  dist  ) const

inline

Calculate near-field pair force.

Definition at line 68 of file core/electrostatics/scafacos.hpp.

References get_pair_force(), get_r_cut(), Coulomb::Actor< CoulombScafacos >::prefactor, and stream.

sanity_checks()

void CoulombScafacos::sanity_checks ( ) const

inlineoverridevirtual

Implements ScafacosContextBase.

Definition at line 53 of file core/electrostatics/scafacos.hpp.

References Coulomb::Actor< CoulombScafacos >::sanity_checks_charge_neutrality().

Referenced by on_activation().

set_near_field_delegation()

virtual void CoulombScafacos::set_near_field_delegation ( bool  delegate )

pure virtual

Implemented in CoulombScafacosImpl.

tune()

void CoulombScafacos::tune ( )

inline

Definition at line 56 of file core/electrostatics/scafacos.hpp.

References is_tuned(), stream, and tune_impl().

Referenced by on_activation().

tune_impl()

virtual void CoulombScafacos::tune_impl ( )

protectedpure virtual

Implemented in CoulombScafacosImpl.

Referenced by tune().

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

• core/electrostatics/scafacos.hpp